data_1mpz_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 1mpz _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 . . . . . 0.489 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 36.8 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.449 ' OG1' ' SG ' ' A' ' 10' ' ' CYS . 25.7 m -70.36 -52.76 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.21 -108.46 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 1.007 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.91 4.36 4.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.781 ' C ' ' HB3' ' A' ' 11' ' ' LYS . 5.9 p 44.91 -62.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 108.335 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 1.007 ' N ' ' O ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -37.74 104.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 1.7 ptt85 84.16 -42.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.391 1.057 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 6' ' ' CYS . 2.3 mt-30 -77.84 -83.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.729 ' H ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -108.83 64.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.847 ' HZ3' ' C ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -166.27 92.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 pp -108.42 1.28 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HD2' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -46.35 160.13 0.32 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.05 47.81 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 50.65 99.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.544 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -106.76 -101.81 2.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.538 ' HB ' ' CG ' ' A' ' 20' ' ' TRP . 13.1 m -156.93 -179.24 8.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' CYS . 3.2 m -83.69 127.71 33.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 0.0 110.356 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.603 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 93.6 m 40.86 57.33 2.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.538 ' CG ' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -106.36 -70.92 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.573 1.171 . . . . 0.0 108.0 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.444 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 69.74 130.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 23' ' ' SER . 33.1 p -91.03 -73.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 22' ' ' THR . 1.2 m 155.18 40.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.74 -42.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.698 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -115.95 -63.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.404 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.698 ' CB ' ' O ' ' A' ' 25' ' ' THR . 5.0 t 105.07 109.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.582 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 6.3 m-70 -80.22 -58.08 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.586 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.87 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 2.1 m-85 20.91 52.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.87 ' SG ' ' O ' ' A' ' 28' ' ' TYR . 16.6 m 165.24 -123.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 108.323 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.847 ' C ' ' HZ3' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 157.7 -18.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.742 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 92.87 103.44 1.56 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.753 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.9 tptt 138.51 -96.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -113.37 82.25 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.474 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 17.4 m -129.31 -172.57 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -174.78 35.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 9.5 m -122.16 136.8 26.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 108.23 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.587 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -74.99 117.58 4.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.767 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -96.02 71.74 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.509 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 2.9 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 2' ' ' THR . 24.5 m -56.53 -123.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.37 -107.55 3.04 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.836 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.07 5.23 4.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.734 ' HA ' ' H ' ' A' ' 10' ' ' CYS . 13.2 p 57.72 -48.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 108.253 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.906 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.3 m -45.74 100.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.077 . . . . 0.0 108.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.552 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER 88.37 -23.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.599 1.187 . . . . 0.0 110.263 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 6' ' ' CYS . 7.5 mm-40 -91.4 -91.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.734 ' H ' ' HA ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -113.33 64.35 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.906 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -149.63 28.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 13' ' ' LYS . 2.9 pp -55.58 -11.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.644 ' HD3' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.03 160.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.98 36.79 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.433 1.754 . . . . 0.0 110.997 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 13' ' ' LYS . . . 60.53 133.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.654 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -144.55 -125.44 1.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 29' ' ' CYS . 18.9 m -122.37 165.6 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 110.44 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.1 m -82.63 138.19 34.25 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.584 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 4.0 m 36.56 54.99 1.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.481 1.113 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.483 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 15.2 t-105 -113.6 -64.9 1.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.546 1.154 . . . . 0.0 107.948 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 2.5 tptm 71.92 117.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.614 ' O ' ' CB ' ' A' ' 23' ' ' SER . 44.6 p -75.73 -15.12 60.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.614 ' CB ' ' O ' ' A' ' 22' ' ' THR . 2.3 t 94.83 -10.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.944 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -115.95 -71.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.616 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -90.5 -47.42 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.616 ' CB ' ' O ' ' A' ' 25' ' ' THR . 2.4 m 95.69 133.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.872 ' O ' HD23 ' A' ' 38' ' ' LEU . 63.3 m170 -109.31 -51.76 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.617 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 1.6 m-85 24.05 34.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.771 ' N ' ' O ' ' A' ' 27' ' ' HIS . 1.3 p 160.23 -172.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.543 ' C ' ' HZ3' ' A' ' 11' ' ' LYS . 8.9 t -137.7 -42.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.519 ' N ' ' HD2' ' A' ' 11' ' ' LYS . . . 145.52 115.97 0.99 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.446 1.091 . . . . 0.0 111.015 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.637 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER 76.91 -75.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.33 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.01 75.6 10.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.636 ' HB2' ' CB ' ' A' ' 29' ' ' CYS . 13.8 p -147.87 -161.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.222 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 168.85 75.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.506 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 170.89 136.01 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.617 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -74.93 147.01 33.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.462 1.77 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.872 HD23 ' O ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -104.41 80.81 1.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.465 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 2.0 t . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.607 ' HB ' ' HB2' ' A' ' 10' ' ' CYS . 23.2 m -143.41 -126.0 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.89 -131.19 4.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.728 ' O ' ' C ' ' A' ' 6' ' ' CYS . 18.5 Cg_endo -74.95 58.37 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.574 1.829 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.811 ' HA ' ' HB3' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -4.73 104.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 108.372 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.846 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER 159.58 44.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 108.299 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.594 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 4.0 tpm_? 149.55 -13.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.174 . . . . 0.0 110.298 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HB3' ' CG2' ' A' ' 3' ' ' THR . 5.5 mm-40 -140.09 -72.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.337 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.811 ' HB3' ' HA ' ' A' ' 6' ' ' CYS . 14.2 t -54.38 -48.69 71.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 108.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.846 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -76.93 53.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.93 -9.36 4.12 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.477 ' HE2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -62.37 162.85 16.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.0 39.53 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 60.95 124.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.207 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.11 -95.27 0.68 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.673 1.233 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.552 ' O ' ' N ' ' A' ' 29' ' ' CYS . 81.4 m -152.65 151.74 30.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 0.772 . . . . 0.0 110.453 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.531 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -73.06 133.84 44.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 0.0 110.399 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.712 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 4.5 m 32.47 57.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.465 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 24.3 t-105 -115.8 -64.08 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 108.045 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 11.5 tptp 73.87 126.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.437 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 35.7 p -116.9 171.52 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.72 0.6 33.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tp -109.28 -45.64 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 27' ' ' HIS . 26.3 m -156.6 118.02 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.629 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 5.1 t -49.23 87.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.539 ' N ' ' O ' ' A' ' 25' ' ' THR . 32.3 m170 -91.8 98.83 11.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.545 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.777 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -108.82 25.77 11.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.091 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.778 ' N ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -165.21 -154.7 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.55 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 11.5 m -155.81 -35.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 110.389 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 32' ' ' LYS . . . 135.24 119.96 1.98 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.429 1.081 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.736 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 57.78 122.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.541 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 85.14 43.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.667 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -154.97 163.42 40.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.575 1.172 . . . . 0.0 108.244 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -160.88 34.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.788 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -103.51 147.09 33.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 108.316 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.554 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -74.98 127.66 10.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.778 HD23 ' N ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -107.11 35.27 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 26' ' ' SER . 41.1 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 39' ' ' TYR . 73.5 p . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.589 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 21.0 m -40.38 -65.15 0.44 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.56 1.162 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -135.76 -126.33 2.57 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.449 1.093 . . . . 0.0 111.069 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.755 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.6 Cg_endo -74.97 13.62 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 3.8 p 60.74 -50.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -48.73 122.61 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.401 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.608 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 6.8 tpt180 68.35 2.16 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' CYS . 19.6 mt-30 -128.49 -91.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.374 1.046 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.735 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 8.4 m -68.41 -25.95 65.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.07 . . . . 0.0 108.287 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.908 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -81.17 37.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' H ' ' C ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -56.79 -3.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.587 ' H ' ' C ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -91.01 158.16 42.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 54.46 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 30' ' ' THR . . . 65.17 175.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.59 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . 159.37 44.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' CYS . 3.2 m 82.82 176.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.483 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -119.18 146.19 45.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.661 ' HA ' ' CD1' ' A' ' 28' ' ' TYR . 1.6 m 36.16 62.66 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.277 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.446 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 6.4 t90 -129.49 -62.51 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.516 ' HA ' ' N ' ' A' ' 27' ' ' HIS . 2.6 mtpm? 72.51 122.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.569 HG22 ' CD2' ' A' ' 27' ' ' HIS . 14.2 p -96.34 173.55 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.435 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.25 12.41 31.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.886 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.73 -48.74 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.601 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -123.48 -83.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.48 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.648 ' O ' ' CB ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER 151.68 92.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.993 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.771 ' O ' ' HD1' ' A' ' 28' ' ' TYR . 5.6 m-70 -87.66 166.97 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.771 ' HD1' ' O ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER 166.91 25.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.738 ' SG ' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER 175.0 -165.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 108.275 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.589 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 3.5 m -127.14 -41.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.397 1.06 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.697 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 129.72 110.21 1.42 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.697 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER 145.12 -100.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 0.0 109.173 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.1 p -125.99 70.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 7.9 p -94.91 -173.68 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 108.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -149.15 34.78 0.73 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.488 1.118 . . . . 0.0 109.349 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 1.7 m -139.62 112.41 7.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.618 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.3 Cg_endo -74.99 127.57 10.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.738 ' CD2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -92.28 110.18 21.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.215 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.597 ' CD1' ' HB3' ' A' ' 26' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.504 ' CG2' ' HA ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.908 ' H ' ' HB2' ' A' ' 10' ' ' CYS . 1.5 m -118.58 -88.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.638 1.211 . . . . 0.0 110.4 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.401 ' HA3' ' HD3' ' A' ' 5' ' ' PRO . . . -128.75 -100.06 0.97 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.549 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -75.03 -10.46 21.17 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.594 1.839 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.911 ' CA ' ' HB3' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 73.11 -55.55 0.68 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.067 . . . . 0.0 108.272 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.779 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -53.04 68.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.334 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.817 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER 135.73 -18.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.704 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -138.72 -87.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.911 ' HB3' ' CA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -41.74 -26.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.372 1.045 . . . . 0.0 108.282 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.793 ' HA ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -95.14 31.98 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.704 ' N ' ' O ' ' A' ' 9' ' ' GLN . 2.6 pp -41.67 -32.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.793 ' HD2' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -52.47 163.99 0.69 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.0 14.0 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 30' ' ' THR . . . 73.05 139.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' HA3' ' ND1' ' A' ' 27' ' ' HIS . . . -132.0 -60.72 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.48 ' HB ' ' CB ' ' A' ' 20' ' ' TRP . 96.8 m -158.5 156.18 29.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.481 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.3 m -74.39 121.77 21.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.178 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.711 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.3 m 35.45 61.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 1.2 t-105 -115.59 -60.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.61 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 89.43 125.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.377 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.762 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 18.2 p -80.46 18.03 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.64 2.53 4.15 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.74 -82.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -48.98 -44.6 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.369 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.586 ' HB2' ' N ' ' A' ' 39' ' ' TYR . 2.6 m 86.0 89.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.036 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.762 ' CG ' ' CG2' ' A' ' 22' ' ' THR . 17.1 m170 -87.97 10.23 19.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.566 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.711 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -50.71 83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.06 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 163.66 -158.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 108.297 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -156.08 -41.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 110.475 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.775 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 109.43 108.25 3.16 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.775 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 122.61 -92.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 0.7 . . . . 0.0 109.379 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.526 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.5 m -108.99 85.64 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.665 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 12.5 m -143.33 -151.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.365 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p30 164.64 41.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.5 ' O ' HD11 ' A' ' 38' ' ' LEU . 33.2 m -114.41 149.12 41.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.5 Cg_endo -75.01 139.54 24.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.821 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 1.4 mp -131.18 72.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.586 ' N ' ' HB2' ' A' ' 26' ' ' SER . 33.1 t80 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.458 ' O ' ' OG1' ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.9 m -50.18 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.621 1.201 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -127.81 -134.15 3.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.829 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.08 34.01 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.812 ' SG ' ' O ' ' A' ' 5' ' ' PRO . 26.3 p 56.85 -56.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.829 ' N ' ' O ' ' A' ' 5' ' ' PRO . 45.6 m -52.46 97.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 108.279 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.744 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER 110.94 6.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 6' ' ' CYS . 3.3 mp0 -157.22 -86.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.727 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 5.0 m -58.92 -23.88 61.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.27 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.885 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -79.25 6.86 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HA ' ' NZ ' ' A' ' 11' ' ' LYS . 3.0 pp -38.72 -32.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.627 ' HB3' ' HZ3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -62.95 167.68 5.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 0.0 109.369 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.609 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -74.97 42.26 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.429 1.752 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 57.41 148.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.622 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -140.26 -106.64 0.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.425 ' CG2' ' HB3' ' A' ' 20' ' ' TRP . 1.2 m -132.49 161.06 34.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 0.825 . . . . 0.0 110.464 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.604 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -68.11 119.01 12.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.806 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 25.75 66.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.4 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.592 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 28.0 t-105 -178.29 91.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.987 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.557 ' C ' ' OG1' ' A' ' 22' ' ' THR . 0.6 OUTLIER -173.05 -113.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.199 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.557 ' OG1' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER 51.87 -175.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.64 3.83 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -151.6 -37.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.173 . . . . 0.0 109.21 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.64 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -159.85 -45.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 0.0 110.382 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.4 m 99.18 89.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.622 ' CD2' ' HA3' ' A' ' 16' ' ' GLY . 4.2 m80 -94.63 -51.7 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.806 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER 20.57 62.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.671 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 179.85 -148.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 108.296 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.561 ' CG2' ' O ' ' A' ' 30' ' ' THR . 0.9 OUTLIER -161.97 11.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.612 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 55.63 121.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.422 1.076 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.67 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 77.64 -69.91 0.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 86.73 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.945 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.569 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 18.3 p -157.96 -164.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER 179.92 69.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.831 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 1.8 m -169.98 154.24 5.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 108.27 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.588 ' C ' ' CD2' ' A' ' 38' ' ' LEU . 18.3 Cg_endo -74.97 136.7 20.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 111.081 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.885 HD13 ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -111.53 48.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.618 ' HA ' ' CB ' ' A' ' 26' ' ' SER . 4.4 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.676 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 1.1 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.879 ' H ' ' HA ' ' A' ' 10' ' ' CYS . 84.8 m -115.14 -80.74 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.554 1.159 . . . . 0.0 110.447 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.857 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . -112.29 -123.08 4.16 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -74.98 -20.51 16.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.4 1.737 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.776 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 93.97 150.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.272 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.966 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 94.33 31.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.354 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.602 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 48.7 tpt85 173.34 -10.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.573 ' HB3' ' CG2' ' A' ' 3' ' ' THR . 1.8 mt-30 -173.77 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.879 ' HA ' ' H ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -77.38 -4.61 46.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 108.306 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -129.6 25.52 5.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.63 ' HA ' ' HZ3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -36.83 -31.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HD3' ' HB3' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -37.68 156.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.309 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.07 53.92 3.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.57 1.827 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 61.33 136.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.363 1.04 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -176.54 85.08 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' CYS . 18.9 m 48.88 -179.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 4.7 t -117.57 12.25 14.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.68 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER 171.35 66.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.553 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 6.8 t-105 -119.77 -67.27 0.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.539 ' HA ' ' N ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 74.59 118.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.352 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.3 p -111.11 -176.83 3.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.355 1.035 . . . . 0.0 110.351 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.76 -10.02 49.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.94 -33.56 8.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 27' ' ' HIS . 4.2 m -161.93 120.05 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 0.0 110.436 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -56.19 81.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' A' ' 25' ' ' THR . 56.4 m170 -73.94 86.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.68 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -127.15 43.99 3.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.076 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 18' ' ' THR . 1.4 m 172.69 167.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.423 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -124.66 -57.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.484 ' C ' ' SG ' ' A' ' 7' ' ' CYS . . . 159.9 109.38 0.25 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.966 ' N ' ' O ' ' A' ' 7' ' ' CYS . 33.3 mmtt 62.8 125.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 3.2 t 91.82 20.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.934 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.592 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 2.4 m -130.46 176.64 7.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 108.254 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -170.37 23.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -95.79 143.59 26.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.5 Cg_endo -74.95 131.46 14.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.547 1.814 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.652 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 3.7 mp -108.06 55.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.417 ' N ' ' CB ' ' A' ' 26' ' ' SER . 2.1 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.59 ' HB ' ' C ' ' A' ' 9' ' ' GLN . 23.8 m -59.18 -102.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.444 ' N ' HG21 ' A' ' 3' ' ' THR . . . -126.93 -117.0 2.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.737 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.0 10.82 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.925 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 4.7 p 60.98 -56.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.806 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -49.87 72.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 108.238 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.815 ' N ' ' O ' ' A' ' 6' ' ' CYS . 9.5 tpt180 106.55 -11.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.895 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -150.5 77.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.242 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.905 ' HB3' ' HA ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER 130.75 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 108.333 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.711 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -91.99 26.17 2.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.369 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' LYS . 1.6 pp -37.03 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.67 ' HD3' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -41.67 163.58 0.11 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.05 44.16 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.465 1.771 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 60.1 115.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -114.38 -118.06 3.3 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.558 ' HB ' ' CB ' ' A' ' 20' ' ' TRP . 3.7 m -144.0 129.25 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.46 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.1 m -34.88 129.8 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.594 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 2.9 m 27.18 56.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 108.2 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.558 ' CB ' ' HB ' ' A' ' 17' ' ' THR . 60.8 t-105 -97.79 -61.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.049 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HA ' ' H ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 75.2 121.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.362 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.553 HG23 ' CD2' ' A' ' 27' ' ' HIS . 27.5 p -73.76 -144.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.1 19.19 19.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.962 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tt -176.82 -67.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.599 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.3 m -52.55 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 25' ' ' THR . 25.7 t 150.98 97.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.613 1.195 . . . . 0.0 109.967 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.553 ' CD2' HG23 ' A' ' 22' ' ' THR . 2.8 m-70 -92.22 32.5 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.593 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.594 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -63.87 50.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 111.008 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.595 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 17.9 t 176.31 171.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 108.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.546 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -127.49 -44.74 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 110.352 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.501 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 131.8 109.41 1.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.806 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER 67.97 112.69 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.439 0.729 . . . . 0.0 109.219 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.6 t 90.06 45.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.1 m -138.76 -164.68 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 108.251 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 166.15 40.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -118.84 147.59 42.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 108.342 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.04 124.36 8.54 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.457 1.767 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.925 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 2.1 mp -96.94 57.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.433 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 111.043 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.634 ' HB ' ' CB ' ' A' ' 10' ' ' CYS . 52.5 m -144.2 -100.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.75 -100.42 0.5 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.515 1.135 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.679 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.96 -5.05 16.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.723 ' HA ' ' N ' ' A' ' 10' ' ' CYS . 6.3 p 62.67 -55.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 108.26 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.743 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -50.19 103.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 108.267 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.735 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 80.13 5.38 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 6' ' ' CYS . 4.9 mt-30 -136.48 -101.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.723 ' N ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -58.0 -17.08 15.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.34 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.857 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -98.5 72.99 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.88 10.5 15.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.62 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -100.45 -177.45 0.57 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.03 -167.07 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.588 1.836 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.518 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . -82.26 118.6 23.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.666 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -111.17 -97.17 2.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.544 1.153 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 16' ' ' GLY . 29.0 m -162.16 175.22 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.435 ' N ' ' CG2' ' A' ' 17' ' ' THR . 1.0 OUTLIER -82.65 118.11 23.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 110.384 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 57.9 m 38.98 63.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.592 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 2.7 t90 -113.12 -76.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 107.975 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.647 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 89.57 121.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.729 ' CG2' ' CE1' ' A' ' 27' ' ' HIS . 73.0 p -75.94 -114.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.75 16.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.61 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -152.2 -71.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.649 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.0 m -75.23 -56.82 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.338 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.9 t 100.12 107.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.729 ' CE1' ' CG2' ' A' ' 22' ' ' THR . 6.5 m-70 -67.8 -87.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER 44.08 37.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 8.2 t -179.26 -137.76 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.538 ' O ' ' NZ ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 166.93 -27.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.445 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.533 ' HA2' ' HG2' ' A' ' 11' ' ' LYS . . . 110.23 107.92 3.08 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.51 1.132 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.743 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 68.71 112.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 90.06 44.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.156 . . . . 0.0 110.054 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 20.8 m -135.89 -158.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.175 . . . . 0.0 108.346 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 2.6 p30 155.84 42.94 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.531 1.144 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -130.87 149.48 73.8 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 108.273 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.6 Cg_endo -74.98 131.53 14.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.811 . . . . 0.0 111.059 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.796 ' CD1' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -114.57 50.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.429 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 91.9 m -58.33 -104.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.489 ' N ' ' OE1' ' A' ' 9' ' ' GLN . . . -124.64 -117.99 2.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.917 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.02 13.9 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.859 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 20.0 p 54.79 -48.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.917 ' N ' ' O ' ' A' ' 5' ' ' PRO . 7.3 m -48.22 118.15 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.665 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 78.78 -24.21 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 6' ' ' CYS . 45.9 mt-30 -93.39 -86.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.817 ' O ' ' HB2' ' A' ' 6' ' ' CYS . 6.1 p -126.86 85.4 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.859 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -172.49 29.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -56.14 -11.56 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.769 ' HZ3' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -40.14 143.66 0.61 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.433 1.083 . . . . 0.0 109.381 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.05 45.16 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.551 1.816 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.5 ' HA ' ' CB ' ' A' ' 30' ' ' THR . . . 71.29 124.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.526 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -130.37 -74.98 0.14 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.574 1.171 . . . . 0.0 111.014 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 29' ' ' CYS . 5.1 m -158.22 -163.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 0.804 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -129.82 126.29 37.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.621 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 1.5 m 38.63 66.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 0.0 108.349 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.654 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 11.8 t-105 -139.2 -73.64 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 108.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.654 ' CG ' ' O ' ' A' ' 20' ' ' TRP . 0.0 OUTLIER 99.71 136.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.579 ' O ' ' CB ' ' A' ' 23' ' ' SER . 22.1 p -80.79 -69.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 22' ' ' THR . 0.7 OUTLIER 153.29 -18.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.586 1.178 . . . . 0.0 109.929 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -118.1 -61.37 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.769 ' CG2' ' HZ3' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -84.28 -71.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.382 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.754 ' CB ' ' O ' ' A' ' 25' ' ' THR . 60.1 m 123.47 114.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.958 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.526 ' CG ' ' HA3' ' A' ' 16' ' ' GLY . 50.2 m170 -92.32 -95.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.718 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER 64.59 6.47 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.822 ' SG ' ' CD2' ' A' ' 38' ' ' LEU . 26.0 p 176.18 -158.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.5 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 56.0 p -138.82 -63.3 0.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.858 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . 170.52 115.56 0.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 53.93 140.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.24 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 7.3 t 85.87 -35.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.756 ' SG ' ' HB2' ' A' ' 29' ' ' CYS . 15.1 p -57.41 -159.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 108.32 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 t0 179.03 66.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -178.17 127.74 0.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 108.259 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.718 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -75.01 154.84 42.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.822 ' CD2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -99.21 64.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.9 t80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.622 ' N ' ' HB3' ' A' ' 10' ' ' CYS . 1.5 m . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.585 0.231 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.787 ' CG2' ' HB3' ' A' ' 9' ' ' GLN . 98.9 m -123.41 -108.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.701 ' N ' ' SG ' ' A' ' 10' ' ' CYS . . . -130.18 -96.47 0.76 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.474 ' O ' ' O ' ' A' ' 34' ' ' CYS . 18.3 Cg_endo -75.11 6.42 3.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.246 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 17.5 p 47.85 -134.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 108.308 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.758 ' C ' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER 36.8 52.64 1.04 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.354 1.034 . . . . 0.0 108.347 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.677 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 14.3 tpp180 142.4 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.787 ' HB3' ' CG2' ' A' ' 3' ' ' THR . 6.4 mt-30 -108.65 -81.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.735 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 1.8 m -49.68 -40.36 39.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 108.243 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.709 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -77.52 38.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.565 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -68.76 -9.14 49.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.709 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.12 -174.2 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.0 59.71 5.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.98 96.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' NZ ' ' A' ' 13' ' ' LYS . . . -70.51 -153.83 1.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.421 1.076 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' CYS . 34.8 m -121.77 -125.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.409 0.711 . . . . 0.0 110.352 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -123.61 103.09 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.369 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 1.001 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 86.7 m 29.88 80.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.192 . . . . 0.0 108.347 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.643 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 5.1 m95 -134.19 -60.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.009 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.548 ' HA ' ' N ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 65.51 135.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.629 ' CG2' ' CD2' ' A' ' 27' ' ' HIS . 27.9 p -100.33 -127.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.423 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.419 ' N ' ' OG1' ' A' ' 22' ' ' THR . 5.5 m -106.19 -6.79 18.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.48 -76.2 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -75.41 103.67 5.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.595 ' O ' ' N ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -64.03 70.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.629 ' CD2' ' CG2' ' A' ' 22' ' ' THR . 4.1 p80 -61.06 68.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.579 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 1.001 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -105.87 18.28 22.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.246 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 11.6 m -152.16 -177.71 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 108.26 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.487 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 5.0 t -136.78 -35.1 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.505 ' C ' ' SG ' ' A' ' 7' ' ' CYS . . . 135.41 115.63 1.51 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.758 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 61.47 114.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.394 0.702 . . . . 0.0 109.353 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.629 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 3.4 t 97.87 29.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.583 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.5 m -139.42 169.68 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 5' ' ' PRO . 19.4 t0 -166.24 30.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.652 ' CB ' ' HB3' ' A' ' 28' ' ' TYR . 92.0 m -100.31 165.48 14.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 108.371 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.609 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -75.06 149.66 36.76 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.775 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 1.1 mt -142.75 37.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.379 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.06 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.551 ' HB ' ' O ' ' A' ' 10' ' ' CYS . 1.1 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.663 ' HB ' ' O ' ' A' ' 9' ' ' GLN . 1.8 m -149.09 -85.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.507 ' N ' ' HB2' ' A' ' 10' ' ' CYS . . . -99.3 -139.07 10.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' O ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo -74.95 13.85 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.959 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER 50.87 105.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 108.292 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.831 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 1.6 m 141.85 43.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 108.265 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 8.7 tpp180 144.37 -10.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.663 ' O ' ' HB ' ' A' ' 3' ' ' THR . 3.7 mt-30 -173.66 56.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.771 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER 170.31 -39.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 108.294 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.605 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -87.88 15.17 7.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.51 1.131 . . . . 0.0 109.37 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.517 ' O ' ' O ' ' A' ' 13' ' ' LYS . 4.5 pp -35.46 -35.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.612 1.195 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.657 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.44 177.46 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.03 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.455 1.766 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . -35.23 136.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.546 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -127.43 -86.04 0.53 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.442 ' O ' ' O ' ' A' ' 29' ' ' CYS . 6.0 m -157.41 -142.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.518 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -119.74 123.9 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.791 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.3 m 33.41 77.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.594 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -134.39 -76.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.007 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.595 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 93.06 125.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' A' ' 21' ' ' LYS . 6.9 t 173.98 -168.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.489 ' N ' ' OG1' ' A' ' 22' ' ' THR . 0.5 OUTLIER 51.09 19.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 0.8 OUTLIER 78.07 -1.34 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 27' ' ' HIS . 27.6 m -125.64 111.52 15.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.638 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 4.0 m -51.75 78.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.649 ' N ' ' O ' ' A' ' 25' ' ' THR . 3.1 m-70 -40.69 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.587 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.791 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.5 m-85 29.51 36.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.029 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER 170.95 -167.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 108.39 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -159.11 -66.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.478 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.632 ' O ' ' CD ' ' A' ' 32' ' ' LYS . . . 167.58 116.39 0.36 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.695 ' H ' ' CA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 43.97 24.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.457 ' N ' ' C ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -153.69 51.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 1.029 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 20.3 p -165.31 -143.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 108.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 153.86 39.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 109.235 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.959 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -128.51 161.22 58.29 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.28 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.539 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 17.9 Cg_endo -75.05 145.87 31.78 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.672 HD23 ' HB2' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -124.13 63.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.764 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 1.1 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.799 ' N ' ' HB2' ' A' ' 10' ' ' CYS . 1.2 m -170.78 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.552 1.157 . . . . 0.0 110.485 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.469 ' N ' HG22 ' A' ' 3' ' ' THR . . . -136.01 -106.27 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.642 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.01 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.98 ' HA ' ' HB3' ' A' ' 10' ' ' CYS . 1.7 p 64.95 -53.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.869 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -51.02 75.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 108.292 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.759 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER 109.33 -15.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.284 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.941 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 12.4 mt-30 -148.06 72.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.261 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.98 ' HB3' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER 132.66 -12.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.213 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.869 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -107.43 22.97 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HG ' ' CE ' ' A' ' 13' ' ' LYS . 3.0 pp -36.13 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.909 ' HZ3' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.76 156.1 0.46 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.01 31.26 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.432 1.753 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 84.55 151.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' THR . . . 174.95 86.85 0.06 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.442 1.089 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.548 ' O ' ' C ' ' A' ' 29' ' ' CYS . 21.1 m 45.19 -172.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 110.432 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.557 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 5.8 t -109.87 7.74 24.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.475 1.109 . . . . 0.0 110.445 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.769 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.4 m 173.5 77.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.346 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.631 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -118.7 -68.75 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.047 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.582 ' N ' ' HD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 79.63 124.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.451 ' CG2' ' CD2' ' A' ' 27' ' ' HIS . 52.2 p -84.43 -119.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.79 15.14 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.081 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.81 -71.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.8 OUTLIER -56.55 -51.92 66.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.595 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 10.1 m 83.56 92.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.087 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.677 ' O ' ' CG ' ' A' ' 38' ' ' LEU . 6.6 m-70 -65.09 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.571 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.769 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER 66.3 48.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.583 ' HA ' ' HB2' ' A' ' 34' ' ' CYS . 1.4 t 179.62 167.21 1.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 108.248 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.615 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 22.5 m -132.59 -58.38 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.635 1.21 . . . . 0.0 110.44 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.717 ' O ' ' HB3' ' A' ' 32' ' ' LYS . . . 152.89 111.68 0.47 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.615 1.197 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.717 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 82.65 -69.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.64 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 30.0 t -67.3 -98.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 110.069 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.761 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 27.2 p 23.2 -130.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 108.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.761 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 23.2 t70 124.64 47.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -138.16 159.23 69.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 108.335 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.551 ' O ' ' HB3' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.1 145.31 30.97 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.909 ' HB2' ' HZ3' ' A' ' 13' ' ' LYS . 2.1 mp -125.3 48.99 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.529 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.743 ' HB ' ' O ' ' A' ' 10' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.899 ' H ' ' HB2' ' A' ' 10' ' ' CYS . 7.6 m -152.27 -82.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.508 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.02 -88.9 0.08 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.538 1.148 . . . . 0.0 111.033 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.528 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo -74.97 -18.49 18.78 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.887 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.5 OUTLIER 73.73 -55.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 108.329 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -55.1 74.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 108.332 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.767 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 6.7 tpm_? 123.47 -16.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.514 ' HB3' ' CG2' ' A' ' 3' ' ' THR . 27.2 mm-40 -134.15 -92.16 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.351 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.899 ' HB2' ' H ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -44.09 -21.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 108.291 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.832 ' HZ3' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -99.68 43.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -56.24 -23.58 36.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.832 ' HG2' ' HZ3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -68.98 164.78 44.34 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.646 ' O ' ' C ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.87 147.27 34.3 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 0.0 111.017 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.646 ' C ' ' O ' ' A' ' 14' ' ' PRO . . . -18.17 108.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.503 ' HA3' ' HB2' ' A' ' 27' ' ' HIS . . . -95.85 -106.05 2.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.562 1.164 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 29' ' ' CYS . 11.8 m -157.35 -177.69 6.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.576 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -86.57 109.37 19.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.969 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 20.2 m 27.81 74.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 108.239 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.612 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 5.5 t-105 -123.82 -60.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 107.997 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 79.75 118.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.59 HG23 ' CG ' ' A' ' 27' ' ' HIS . 41.2 p -79.56 -71.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -174.97 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.44 1.087 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.38 -40.15 2.71 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.514 1.134 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.656 HG21 ' HZ3' ' A' ' 13' ' ' LYS . 1.7 m -82.22 -32.94 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.483 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.585 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 2.9 m 57.22 72.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.59 ' CG ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -74.06 93.47 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.572 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.969 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -118.08 9.25 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.543 ' HB3' ' CB ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -146.93 -169.82 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.322 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 m -135.64 -14.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.573 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . 98.28 115.23 3.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.769 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 80.46 107.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER 80.92 53.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.995 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.562 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.3 m -148.39 175.72 10.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 108.356 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 5' ' ' PRO . 30.3 t0 -168.94 43.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.937 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 5.9 m -117.46 148.62 43.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 108.299 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.6 Cg_endo -74.99 145.15 31.12 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.887 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 1.9 mp -133.11 63.86 1.63 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.645 ' CD1' ' OG1' ' A' ' 2' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.701 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 10.6 m . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.651 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 47.0 m -71.07 -95.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.579 1.174 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.42 -99.25 1.03 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.557 1.16 . . . . 0.0 111.057 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.773 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.6 Cg_endo -74.88 -0.41 9.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.966 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 8.5 p 68.17 -56.82 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 108.362 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.709 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.3 m -56.77 97.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.705 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 4.5 tpp180 103.81 5.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.528 ' HB3' ' CB ' ' A' ' 3' ' ' THR . 77.6 mt-30 -150.09 -81.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.966 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -70.23 -19.45 63.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.427 1.08 . . . . 0.0 108.283 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.721 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -84.56 26.32 0.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 0.4 OUTLIER -73.45 4.66 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.667 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -70.25 -169.83 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.667 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.07 8.75 2.3 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 73.14 124.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -138.67 -153.28 6.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.592 ' OG1' ' CG ' ' A' ' 20' ' ' TRP . 0.3 OUTLIER -78.49 149.27 33.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 0.753 . . . . 0.0 110.443 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.406 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 1.5 t -46.17 -22.76 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.741 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 19.5 m -162.86 66.38 0.2 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 108.314 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.592 ' CG ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -94.78 -73.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.057 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.605 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 1.8 tptm 71.1 119.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.568 HG22 ' CD2' ' A' ' 27' ' ' HIS . 40.3 p -101.17 -141.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.99 10.01 18.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.34 -40.37 1.97 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.092 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -149.34 157.12 43.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.449 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.74 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -86.63 75.03 9.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.973 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.644 ' C ' ' CD2' ' A' ' 38' ' ' LEU . 10.6 m170 -45.13 -17.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.615 1.197 . . . . 0.0 109.62 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 1.024 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 1.5 m-85 -31.17 87.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.616 ' N ' ' O ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER 158.15 -172.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.604 1.19 . . . . 0.0 108.282 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.569 HG21 ' HB3' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -148.77 -61.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.591 ' O ' ' CD ' ' A' ' 32' ' ' LYS . . . 156.87 114.75 0.45 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.591 ' CD ' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 40.26 28.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 0.713 . . . . 0.0 109.333 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.47 ' N ' ' C ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -159.41 47.11 0.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.947 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.588 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 23.9 p -155.48 -153.08 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 169.67 35.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 1.024 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 36.5 m -112.67 169.93 5.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.671 ' HD2' ' HB3' ' A' ' 36' ' ' CYS . 18.5 Cg_endo -74.95 156.56 43.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.834 HD11 ' SG ' ' A' ' 6' ' ' CYS . 22.0 mt -147.02 49.99 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 38' ' ' LEU . 96.0 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.568 ' HB ' ' CA ' ' A' ' 10' ' ' CYS . 20.3 m -156.59 -100.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.357 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.61 ' N ' ' HB2' ' A' ' 10' ' ' CYS . . . -100.72 -117.25 4.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.054 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 18.0 Cg_endo -74.99 -23.34 13.92 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER 88.4 110.97 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.853 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.6 m 135.71 52.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.658 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 144.38 -14.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.471 ' HB3' ' CG2' ' A' ' 3' ' ' THR . 5.8 mt-30 -156.16 -41.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.222 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.863 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -98.46 18.85 15.61 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 108.346 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.935 ' HA ' HD11 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -129.77 0.5 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.336 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.599 ' C ' ' O ' ' A' ' 11' ' ' LYS . 3.2 pp -24.05 -42.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.653 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -48.8 176.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.506 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.04 151.71 39.67 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . -48.07 142.28 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.709 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -164.56 69.83 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.525 ' O ' ' C ' ' A' ' 29' ' ' CYS . 18.9 m 32.59 -134.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 0.76 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 19' ' ' CYS . 1.7 m -140.98 142.63 34.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.396 1.06 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.664 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 61.6 m 40.43 69.92 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 108.351 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.551 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 3.4 t-105 -125.74 -75.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 107.983 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 92.55 128.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.62 HG21 ' CE1' ' A' ' 27' ' ' HIS . 37.9 p -90.15 -2.47 58.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 22' ' ' THR . 4.4 t 91.62 -30.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 tt -108.76 -64.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 109.321 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.755 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -73.77 -77.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.755 ' CB ' ' O ' ' A' ' 25' ' ' THR . 73.9 m 123.73 75.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.709 ' CG ' ' HA3' ' A' ' 16' ' ' GLY . 42.8 m170 -47.04 -73.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.557 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.664 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.4 m-85 30.75 49.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.416 1.072 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.36 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.9 OUTLIER 155.65 -175.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.411 1.07 . . . . 0.0 108.33 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.556 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -152.33 -40.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.557 ' C ' ' CD ' ' A' ' 32' ' ' LYS . . . 142.62 119.34 1.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.651 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 38.66 74.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.242 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.6 m 153.47 36.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 1.36 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 7.3 p -150.82 -156.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.351 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 1.2 t0 170.36 38.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.91 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -126.71 154.1 75.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.402 1.064 . . . . 0.0 108.374 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.499 ' HD2' ' HD2' ' A' ' 28' ' ' TYR . 18.3 Cg_endo -74.95 136.34 20.37 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.544 1.813 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.935 HD11 ' HA ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -124.47 68.95 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 69.0 t80 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.899 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.585 0.231 . . . . 0.0 110.452 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.639 ' OG1' ' CA ' ' A' ' 10' ' ' CYS . 46.8 p -61.12 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.505 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.502 ' N ' ' OG1' ' A' ' 3' ' ' THR . . . -94.8 -147.82 23.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.705 ' O ' ' C ' ' A' ' 6' ' ' CYS . 18.1 Cg_endo -75.05 48.84 2.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.84 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER 13.91 104.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 108.242 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.818 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER 154.63 45.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.22 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.633 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 3.3 tpt180 144.98 -9.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -146.22 -68.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.8 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -60.77 -41.14 94.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.329 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.692 ' HB2' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -83.96 56.8 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.637 1.211 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -6.81 37.72 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.718 ' HD3' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -86.38 166.27 28.94 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.547 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.04 129.48 12.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.817 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . . . -39.85 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.513 ' O ' ' OG1' ' A' ' 17' ' ' THR . . . -100.07 -61.93 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.526 HG22 ' CG ' ' A' ' 20' ' ' TRP . 91.4 m -161.86 157.53 24.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -82.45 111.5 18.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.865 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 4.5 m 46.97 62.11 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.382 1.051 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.565 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 2.2 t-105 -117.87 -59.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.551 ' N ' ' HD1' ' A' ' 27' ' ' HIS . 1.2 tptp 76.24 119.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.594 HG21 ' CG ' ' A' ' 27' ' ' HIS . 46.8 p -73.57 -131.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.87 20.92 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.968 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -165.63 -40.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.662 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -92.29 -64.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.662 ' CB ' ' O ' ' A' ' 25' ' ' THR . 4.4 m 99.09 76.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.934 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.594 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.66 91.19 7.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.616 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.865 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -118.26 50.4 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.588 ' SG ' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -171.71 -152.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.5 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 6.3 t -160.56 -38.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 127.56 117.28 2.05 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.715 ' H ' ' CA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 69.99 -59.76 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 0.722 . . . . 0.0 109.251 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 3.4 p -90.61 75.62 6.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.017 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.818 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 10.0 p 176.98 174.6 0.41 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.426 1.079 . . . . 0.0 108.278 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -173.64 34.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.84 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -103.79 153.09 38.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.0 Cg_endo -75.06 123.53 7.92 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.54 1.81 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.718 ' CD2' ' HD3' ' A' ' 13' ' ' LYS . 1.3 mp -97.06 51.04 1.1 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.765 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.553 0.216 . . . . 0.0 110.419 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.624 ' HB ' ' C ' ' A' ' 9' ' ' GLN . 84.4 m -88.01 -95.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -126.72 -119.93 2.32 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.703 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo -75.08 12.03 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.159 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 2.8 p 67.48 -56.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.485 1.116 . . . . 0.0 108.289 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 3.8 m -50.79 86.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 108.259 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.679 ' HB3' ' O ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER 91.56 -6.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.206 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 1.061 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 8.3 mt-30 -152.84 79.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 1.117 ' CB ' ' HA ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER 135.76 -56.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.25 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.617 ' CB ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -70.93 31.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.634 ' H ' ' C ' ' A' ' 10' ' ' CYS . 2.9 pp -49.5 -19.03 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.725 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -75.48 179.39 1.43 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.725 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -74.97 34.33 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.431 1.753 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' O ' ' CE1' ' A' ' 27' ' ' HIS . . . 35.0 -154.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.588 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . 165.75 -69.34 0.19 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 29' ' ' CYS . 2.4 m -123.13 -138.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.354 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.02 1.94 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.713 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 170.57 40.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.428 ' H ' ' HA ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -123.34 99.82 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.847 ' O ' ' CB ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -82.7 128.28 34.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.847 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 10.5 t 126.78 -143.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.784 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER 57.77 18.12 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.971 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.784 ' CB ' ' O ' ' A' ' 23' ' ' SER . 48.2 tp 121.51 -7.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.595 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER 159.79 151.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.369 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.618 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 1.8 m -40.3 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.374 1.046 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.588 ' CD2' ' HA3' ' A' ' 16' ' ' GLY . 1.2 m-70 -106.14 38.68 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.729 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.713 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -78.36 32.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.95 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 4.2 t -170.32 175.69 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 108.278 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.494 ' CA ' ' HB2' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -126.86 -34.89 2.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.478 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 115.67 109.79 2.7 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.568 1.167 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.607 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER 84.59 -54.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.441 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 2.3 m -109.67 83.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.072 . . . . 0.0 110.082 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 31.9 p -166.96 -151.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 1.2 m-20 154.0 69.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 109.281 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -162.25 148.4 10.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 108.241 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.612 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -75.02 138.57 23.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.782 HD22 ' N ' ' A' ' 29' ' ' CYS . 0.4 OUTLIER -116.83 67.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.643 ' CA ' ' HB2' ' A' ' 10' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.594 ' N ' ' CB ' ' A' ' 10' ' ' CYS . 98.1 m -158.07 -90.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 110.463 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.03 -111.01 1.84 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.56 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.7 Cg_endo -74.81 3.06 5.85 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.494 1.786 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.883 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER 68.18 -57.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.851 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -50.18 107.45 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.27 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.712 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 69.6 28.0 4.64 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.092 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 15.8 mm100 -157.05 -85.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.883 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -93.1 34.17 1.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.835 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -141.62 28.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.605 1.191 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -45.38 -19.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.684 ' HD3' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -40.03 162.65 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.02 33.04 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 59.07 111.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.722 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -102.21 -89.17 2.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.064 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.847 ' HB ' ' HE2' ' A' ' 27' ' ' HIS . 21.0 m -157.46 -110.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.386 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.424 ' N ' ' CG2' ' A' ' 17' ' ' THR . 1.2 m -144.98 108.44 4.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.911 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 95.2 m 41.24 87.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.73 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t90 -141.88 -50.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 12.6 tptm 72.08 130.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.483 ' O ' ' O ' ' A' ' 25' ' ' THR . 3.4 t -177.78 -177.03 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.545 ' O ' ' HB3' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 50.87 25.07 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.119 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.545 ' HB3' ' O ' ' A' ' 23' ' ' SER . 2.8 tt 73.5 5.55 4.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.635 1.209 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -129.06 130.47 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.495 ' CB ' ' HA ' ' A' ' 38' ' ' LEU . 2.3 m -60.62 71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.936 ' HD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -44.41 -23.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.576 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.936 ' N ' ' HD1' ' A' ' 27' ' ' HIS . 2.8 m-85 -21.42 77.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.797 ' HB2' ' O ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 156.43 -167.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.3 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.652 ' N ' ' HZ3' ' A' ' 11' ' ' LYS . 1.6 t -153.86 -51.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.397 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.526 ' O ' ' HB3' ' A' ' 32' ' ' LYS . . . 138.34 113.18 1.14 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.691 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 74.2 -53.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.486 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 46.9 p -99.14 74.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.851 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 17.4 p -170.79 -165.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 108.313 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.504 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 52.1 t0 168.36 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.604 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 62.6 m -115.79 158.32 42.39 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 108.329 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.582 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.06 144.58 30.2 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.876 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 2.3 mp -135.27 60.15 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.668 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.668 ' O ' ' O ' ' A' ' 2' ' ' THR . 2.6 m -50.55 -131.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -101.33 -111.5 3.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.919 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.0 21.51 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 19.7 p 51.88 -59.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 108.394 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 1.291 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 1.4 m -39.97 107.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 108.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.58 ' HG2' ' C ' ' A' ' 7' ' ' CYS . 4.5 mmm180 89.51 -14.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.945 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 3.9 mm-40 -147.15 70.01 1.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.242 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.945 ' SG ' ' O ' ' A' ' 9' ' ' GLN . 63.0 m 140.32 -58.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.859 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -50.64 -3.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.668 ' H ' ' C ' ' A' ' 10' ' ' CYS . 1.3 pp -36.44 -25.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.72 ' HZ3' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -52.52 172.44 0.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.668 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.98 44.79 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.601 1.843 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 57.53 148.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.559 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -145.48 -83.75 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' ' CA ' ' A' ' 29' ' ' CYS . 3.1 m -156.88 -145.36 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 1.8 t -124.1 5.84 8.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.364 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.712 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 164.48 60.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 108.274 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.656 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 42.3 t-105 -111.01 -71.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 0.0 OUTLIER 74.94 119.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 23' ' ' SER . 63.9 p -78.08 -111.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 110.482 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' ' OG1' ' A' ' 22' ' ' THR . 1.5 m -147.86 17.0 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.077 . . . . 0.0 110.002 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.12 -71.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.72 ' CG2' ' HZ3' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -61.06 -47.16 87.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.58 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 0.4 OUTLIER 71.56 88.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.037 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.615 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 19.4 m-70 -58.38 -104.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.657 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.712 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER 65.41 33.73 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.997 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 11.5 t 174.92 169.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 108.274 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.551 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -129.28 -76.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.685 ' HA2' ' HG2' ' A' ' 11' ' ' LYS . . . 178.5 110.72 0.28 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.764 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.0 OUTLIER 66.81 95.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.474 0.75 . . . . 0.0 109.326 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.764 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 58.0 m 123.23 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.059 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 1.291 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 27.6 p 28.57 -141.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 108.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 2.2 m-20 149.0 58.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.62 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -167.27 148.48 5.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.269 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' HD2' ' A' ' 28' ' ' TYR . 18.3 Cg_endo -75.04 140.44 25.34 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.57 1.826 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.859 ' CD1' ' HA ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -104.21 45.81 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.853 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.536 ' HB ' ' O ' ' A' ' 9' ' ' GLN . 8.1 m -133.68 -95.38 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.485 ' N ' HG22 ' A' ' 3' ' ' THR . . . -130.66 -115.58 1.75 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.743 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -75.04 7.64 2.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 1.073 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 13.8 p 62.4 -54.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.072 . . . . 0.0 108.36 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.793 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -49.6 82.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 108.28 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.711 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 2.8 mmm180 99.7 -13.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 1.002 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 3.9 mt-30 -146.35 75.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 1.073 ' CB ' ' HA ' ' A' ' 6' ' ' CYS . 2.7 t 138.3 -55.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.239 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.846 ' HZ3' ' CA ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -69.54 37.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.606 ' H ' ' C ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -48.38 -14.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.608 ' HE2' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -59.23 158.84 17.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.896 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 48.91 2.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 71.56 119.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' CA ' ' CG ' ' A' ' 27' ' ' HIS . . . -114.84 -100.72 2.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.393 1.058 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 29' ' ' CYS . 75.6 m -145.5 -119.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 19' ' ' CYS . 4.3 m -161.24 116.94 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 39.7 m 37.79 58.87 1.36 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 108.344 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.598 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 3.6 t-105 -128.16 -71.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 107.94 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.635 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 89.2 122.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.542 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 73.1 p -77.38 179.68 6.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.173 . . . . 0.0 110.41 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -88.91 12.65 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -130.48 -76.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 26' ' ' SER . 1.6 m -93.03 -100.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.454 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.509 ' N ' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER 176.43 115.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CG ' ' CG2' ' A' ' 22' ' ' THR . 36.9 m170 -100.92 30.8 3.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -68.78 44.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 16.2 t 173.88 167.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 108.258 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.564 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -122.07 -43.55 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.846 ' CA ' ' HZ3' ' A' ' 11' ' ' LYS . . . 128.42 107.6 1.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.793 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 18.2 tptp 79.19 107.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.805 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.7 t 87.17 52.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 28.2 m -134.7 -168.82 2.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 5' ' ' PRO . 40.4 t0 173.09 40.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.459 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -131.56 141.3 41.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.3 Cg_endo -75.05 137.14 21.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.738 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 2.1 mp -107.7 56.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.556 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.6 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 1.614 ' HG1' ' CA ' ' A' ' 2' ' ' THR 0.82 0.5 OUTLIER . . . . . 2 N--CA 0.821 -31.921 1 N-CA-C 126.232 5.642 . . . . 3.54 126.232 . . . . . . . . . 5 3 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 1.249 ' HG1' ' CB ' ' A' ' 3' ' ' THR . 90.4 m -104.67 -94.81 0.34 Allowed 'General case' 1 C--N 1.014 -13.992 3 O-C-N 103.89 -11.756 . . . . 1.6200000000000001 110.488 -179.997 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.44 -116.1 2.33 Favored Glycine 0 C--N 1.286 -2.247 0 N-CA-C 111.86 -0.496 . . . . 0.97999999999999998 111.86 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.522 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo -73.95 8.47 2.02 Favored 'Trans proline' 0 C--O 1.155 -3.633 0 O-C-N 124.887 1.993 . . . . 0.83999999999999997 111.406 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.699 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 3.9 p 57.92 -60.2 0.03 OUTLIER 'General case' 1 C--O 0.684 -28.7 0 CA-C-O 128.136 3.827 . . . . 1.5800000000000001 107.501 -179.91 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.914 ' SG ' ' CB ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -45.44 80.43 0.0 OUTLIER 'General case' 2 C--N 0.972 -15.812 3 O-C-N 90.762 -19.961 . . . . 0.97999999999999998 108.38 179.921 . . . . . . . . 5 4 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.746 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 27.7 tpt180 111.38 -11.11 0.01 OUTLIER 'General case' 0 C--N 1.261 -3.275 0 O-C-N 120.947 -1.095 . . . . 3.2999999999999998 110.755 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -138.98 -63.32 0.53 Allowed 'General case' 1 C--O 0.64 -31.006 1 CA-C-O 130.597 4.999 . . . . 2.5099999999999998 111.931 -179.956 . . . . . . . . 3 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 1.622 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 21.3 t -88.37 -13.73 39.88 Favored 'General case' 2 C--N 0.917 -18.233 3 O-C-N 86.289 -22.757 . . . . 1.75 111.133 -179.992 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 1.468 ' HZ1' ' CE ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -101.22 33.6 2.83 Favored 'General case' 1 C--N 1.231 -4.575 0 O-C-N 119.44 -2.037 . . . . 2.8300000000000001 109.456 179.976 . . . . . . . . 4 4 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 1.13 HD13 ' CG ' ' A' ' 12' ' ' LEU . 2.4 pp -53.49 -17.75 2.25 Favored 'General case' 0 C--N 1.26 -3.321 0 N-CA-C 109.408 -0.59 . . . . 1.53 109.408 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 1.56 ' HG3' ' CB ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.65 167.21 1.92 Allowed Pre-proline 0 C--N 1.292 -1.907 0 CA-C-N 115.812 -0.631 . . . . 2.4199999999999999 109.839 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.702 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -75.21 55.79 4.17 Favored 'Trans proline' 1 C--O 0.919 -15.445 0 CA-C-O 126.609 2.67 . . . . 1.3899999999999999 111.895 179.947 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 1.057 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . . . 45.92 131.52 0.0 OUTLIER 'General case' 2 C--N 1.043 -12.72 2 O-C-N 106.777 -9.952 . . . . 1.4399999999999999 110.225 179.998 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.457 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -134.77 -93.65 0.46 Allowed Glycine 2 C--O 0.734 -31.134 0 CA-C-O 123.841 1.8 . . . . 1.5 112.165 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 1.071 HG23 ' CB ' ' A' ' 17' ' ' THR . 35.6 m -147.48 -171.38 3.78 Favored 'General case' 2 C--N 1.023 -13.617 3 O-C-N 98.627 -14.455 . . . . 1.5 111.108 179.943 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 1.367 ' HG1' ' CB ' ' A' ' 18' ' ' THR . 0.7 OUTLIER -102.05 109.35 21.04 Favored 'General case' 2 C--O 0.849 -19.976 0 CA-C-O 128.352 3.929 . . . . 1.5700000000000001 111.005 -179.942 . . . . . . . . 4 4 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.843 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 96.6 m 53.67 65.46 1.51 Allowed 'General case' 1 C--N 0.994 -14.854 3 O-C-N 100.752 -13.718 . . . . 1.02 108.252 179.96 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 1.55 ' HZ3' ' CE3' ' A' ' 20' ' ' TRP . 2.8 t-105 -122.69 -62.12 1.39 Allowed 'General case' 1 C--O 1.006 -11.736 0 CA-C-O 118.052 -0.975 . . . . 4.0800000000000001 109.354 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 1.511 ' HZ2' ' CE ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 73.88 127.09 0.04 OUTLIER 'General case' 1 C--N 1.213 -5.34 0 CA-C-N 123.93 3.059 . . . . 3.48 113.478 179.965 . . . . . . . . 4 4 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 1.52 ' HG1' ' CB ' ' A' ' 22' ' ' THR 0.448 13.0 p -93.15 -133.18 0.15 Allowed 'General case' 2 C--O 0.503 -38.215 0 N-CA-C 120.17 3.396 . . . . 1.9299999999999999 120.17 -179.978 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 1.509 ' HG ' ' CB ' ' A' ' 23' ' ' SER 0.398 0.5 OUTLIER -128.04 1.42 5.9 Favored 'General case' 4 C--N 0.826 -22.17 4 O-C-N 90.638 -20.039 . . . . 2.8799999999999999 116.178 -179.907 . . . . . . . . 6 4 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 1.647 HD11 ' CG ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -143.28 -51.42 0.35 Allowed 'General case' 3 C--N 0.955 -16.556 1 O-C-N 110.983 -7.323 . . . . 3.3500000000000001 112.885 -179.915 . . . . . . . . 5 4 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 1.224 ' O ' ' CA ' ' A' ' 26' ' ' SER . 1.2 m -103.95 -42.08 5.68 Favored 'General case' 2 C--O 0.52 -37.34 2 CA-C-O 145.357 12.027 . . . . 2.0099999999999998 111.893 179.997 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 1.559 ' HG ' ' CB ' ' A' ' 26' ' ' SER . 3.3 m 94.49 91.61 0.01 OUTLIER 'General case' 1 C--N 0.818 -22.523 3 O-C-N 58.904 -39.873 . . . . 1.8600000000000001 109.944 -179.934 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 1.624 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -76.47 -16.53 59.65 Favored 'General case' 2 C--O 0.534 -36.563 1 CA-C-O 136.705 7.907 . . . . 2.6800000000000002 109.846 -179.969 . . . . . . . . 5 4 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 1.432 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -18.94 43.4 0.0 OUTLIER 'General case' 2 C--N 0.89 -19.407 3 O-C-N 70.976 -32.327 . . . . 2.2799999999999998 111.023 -179.931 . . . . . . . . 5 4 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER 176.68 -169.41 0.06 Allowed 'General case' 1 C--O 1.149 -4.207 0 C-N-CA 123.542 0.737 . . . . 1.1699999999999999 109.057 179.993 . . . . . . . . 4 4 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 1.654 HG23 ' CB ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -146.79 -42.57 0.19 Allowed 'General case' 1 C--O 1.142 -4.56 0 CA-C-O 122.073 0.939 . . . . 2.0800000000000001 110.805 179.949 . . . . . . . . 4 4 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.425 ' HA2' ' CD ' ' A' ' 11' ' ' LYS . . . 133.07 113.29 1.42 Allowed Glycine 1 C--N 1.239 -4.821 0 O-C-N 120.276 -1.515 . . . . 0.66000000000000003 111.048 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 1.546 ' HG3' ' CB ' ' A' ' 32' ' ' LYS . 4.5 tmtt? 74.93 36.11 0.57 Allowed 'General case' 2 C--O 0.378 -44.769 1 CA-C-O 154.876 16.56 . . . . 4.2400000000000002 111.975 179.93 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 1.576 ' HG ' ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER 165.68 49.89 0.0 OUTLIER 'General case' 3 C--N 0.811 -22.823 3 O-C-N 38.205 -52.809 . . . . 1.8999999999999999 112.933 179.968 . . . . . . . . 5 4 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 1.19 ' SG ' ' CA ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -137.03 -164.9 1.66 Allowed 'General case' 2 C--N 1.078 -11.238 1 O-C-N 109.574 -8.204 . . . . 1.1899999999999999 108.228 179.976 . . . . . . . . 5 4 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.603 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 11.2 t0 173.16 44.65 0.0 OUTLIER 'General case' 0 C--O 1.156 -3.866 0 CA-C-O 122.878 1.323 . . . . 2.3399999999999999 109.883 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 1.1 m -131.39 148.19 69.14 Favored Pre-proline 1 C--N 1.229 -4.634 0 O-C-N 120.387 -1.446 . . . . 0.66000000000000003 108.429 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.03 138.47 23.01 Favored 'Trans proline' 0 C--O 1.184 -2.193 0 C-N-CA 121.489 1.459 . . . . 0.90000000000000002 111.847 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 1.458 HD11 ' CG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -115.82 60.17 0.72 Allowed 'General case' 0 C--O 1.189 -2.086 0 N-CA-C 108.814 -0.81 . . . . 1.73 108.814 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 1.483 ' HD2' ' CD1' ' A' ' 39' ' ' TYR 0.262 30.5 t80 . . . . . 2 C--O 0.963 -14.021 0 N-CA-C 115.269 1.581 . . . . 4.4299999999999997 115.269 -179.996 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.489 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 36.8 m -152.83 60.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.363 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.449 ' OG1' ' SG ' ' A' ' 10' ' ' CYS . 25.7 m -70.36 -52.76 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.21 -108.46 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 1.007 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.91 4.36 4.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.781 ' C ' ' HB3' ' A' ' 11' ' ' LYS . 5.9 p 44.91 -62.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 108.335 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.007 ' N ' ' O ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -37.74 104.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 1.7 ptt85 84.16 -42.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.391 1.057 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 6' ' ' CYS . 2.3 mt-30 -77.84 -83.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.729 ' H ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -108.83 64.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.847 ' HZ3' ' C ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -166.27 92.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 pp -108.42 1.28 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HD2' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -46.35 160.13 0.32 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.05 47.81 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 50.65 99.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.544 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -106.76 -101.81 2.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.538 ' HB ' ' CG ' ' A' ' 20' ' ' TRP . 13.1 m -156.93 -179.24 8.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 19' ' ' CYS . 3.2 m -83.69 127.71 33.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 0.0 110.356 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.603 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 93.6 m 40.86 57.33 2.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.538 ' CG ' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -106.36 -70.92 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.573 1.171 . . . . 0.0 108.0 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.444 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 69.74 130.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 23' ' ' SER . 33.1 p -91.03 -73.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 22' ' ' THR . 1.2 m 155.18 40.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.74 -42.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.698 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -115.95 -63.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.404 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.698 ' CB ' ' O ' ' A' ' 25' ' ' THR . 5.0 t 105.07 109.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.582 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 6.3 m-70 -80.22 -58.08 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.586 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.87 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 2.1 m-85 20.91 52.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.87 ' SG ' ' O ' ' A' ' 28' ' ' TYR . 16.6 m 165.24 -123.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 108.323 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.847 ' C ' ' HZ3' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 157.7 -18.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.742 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 92.87 103.44 1.56 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.753 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.9 tptt 138.51 -96.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -113.37 82.25 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.474 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 17.4 m -129.31 -172.57 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -174.78 35.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 9.5 m -122.16 136.8 26.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 108.23 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.587 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -74.99 117.58 4.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.767 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -96.02 71.74 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.509 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 2.9 t80 170.42 93.41 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 122.07 6.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.608 ' N ' ' HB3' ' A' ' 10' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.4 OUTLIER 174.14 -14.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 2' ' ' THR . 24.5 m -56.53 -123.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.37 -107.55 3.04 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.836 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.07 5.23 4.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.734 ' HA ' ' H ' ' A' ' 10' ' ' CYS . 13.2 p 57.72 -48.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 108.253 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.906 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.3 m -45.74 100.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.077 . . . . 0.0 108.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.552 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER 88.37 -23.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.599 1.187 . . . . 0.0 110.263 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 6' ' ' CYS . 7.5 mm-40 -91.4 -91.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.734 ' H ' ' HA ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -113.33 64.35 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.906 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -149.63 28.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 13' ' ' LYS . 2.9 pp -55.58 -11.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.644 ' HD3' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.03 160.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.98 36.79 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.433 1.754 . . . . 0.0 110.997 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 13' ' ' LYS . . . 60.53 133.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.654 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -144.55 -125.44 1.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 29' ' ' CYS . 18.9 m -122.37 165.6 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 110.44 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.1 m -82.63 138.19 34.25 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.584 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 4.0 m 36.56 54.99 1.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.481 1.113 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.483 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 15.2 t-105 -113.6 -64.9 1.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.546 1.154 . . . . 0.0 107.948 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 2.5 tptm 71.92 117.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.614 ' O ' ' CB ' ' A' ' 23' ' ' SER . 44.6 p -75.73 -15.12 60.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.614 ' CB ' ' O ' ' A' ' 22' ' ' THR . 2.3 t 94.83 -10.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.944 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -115.95 -71.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.616 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -90.5 -47.42 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.616 ' CB ' ' O ' ' A' ' 25' ' ' THR . 2.4 m 95.69 133.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.872 ' O ' HD23 ' A' ' 38' ' ' LEU . 63.3 m170 -109.31 -51.76 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.617 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 1.6 m-85 24.05 34.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.771 ' N ' ' O ' ' A' ' 27' ' ' HIS . 1.3 p 160.23 -172.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.543 ' C ' ' HZ3' ' A' ' 11' ' ' LYS . 8.9 t -137.7 -42.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.519 ' N ' ' HD2' ' A' ' 11' ' ' LYS . . . 145.52 115.97 0.99 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.446 1.091 . . . . 0.0 111.015 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.637 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER 76.91 -75.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.33 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.01 75.6 10.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.636 ' HB2' ' CB ' ' A' ' 29' ' ' CYS . 13.8 p -147.87 -161.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.222 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 168.85 75.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.506 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 170.89 136.01 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.617 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -74.93 147.01 33.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.462 1.77 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.872 HD23 ' O ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -104.41 80.81 1.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -178.95 156.23 0.87 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -75.01 -53.01 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.452 1.764 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.605 ' HB ' ' O ' ' A' ' 1' ' ' CYS . 2.0 t 167.29 72.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.439 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.607 ' HB ' ' HB2' ' A' ' 10' ' ' CYS . 23.2 m -143.41 -126.0 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.89 -131.19 4.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.728 ' O ' ' C ' ' A' ' 6' ' ' CYS . 18.5 Cg_endo -74.95 58.37 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.574 1.829 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.811 ' HA ' ' HB3' ' A' ' 10' ' ' CYS . 0.2 OUTLIER -4.73 104.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 108.372 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.846 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER 159.58 44.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 108.299 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.594 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 4.0 tpm_? 149.55 -13.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.174 . . . . 0.0 110.298 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HB3' ' CG2' ' A' ' 3' ' ' THR . 5.5 mm-40 -140.09 -72.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.337 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 14.2 t -54.38 -48.69 71.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 108.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.846 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -76.93 53.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.93 -9.36 4.12 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' HE2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -62.37 162.85 16.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.0 39.53 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 60.95 124.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.207 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.11 -95.27 0.68 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.673 1.233 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.552 ' O ' ' N ' ' A' ' 29' ' ' CYS . 81.4 m -152.65 151.74 30.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 0.772 . . . . 0.0 110.453 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.531 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -73.06 133.84 44.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 0.0 110.399 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.712 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 4.5 m 32.47 57.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.465 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 24.3 t-105 -115.8 -64.08 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 108.045 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 11.5 tptp 73.87 126.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.437 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 35.7 p -116.9 171.52 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.72 0.6 33.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tp -109.28 -45.64 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 27' ' ' HIS . 26.3 m -156.6 118.02 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.629 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 5.1 t -49.23 87.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' N ' ' O ' ' A' ' 25' ' ' THR . 32.3 m170 -91.8 98.83 11.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.545 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.777 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -108.82 25.77 11.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.091 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.778 ' N ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -165.21 -154.7 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.55 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 11.5 m -155.81 -35.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 110.389 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 32' ' ' LYS . . . 135.24 119.96 1.98 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.429 1.081 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.736 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 57.78 122.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.541 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 85.14 43.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.667 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -154.97 163.42 40.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.575 1.172 . . . . 0.0 108.244 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -160.88 34.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.788 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -103.51 147.09 33.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 108.316 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.554 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -74.98 127.66 10.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.778 HD23 ' N ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -107.11 35.27 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 26' ' ' SER . 41.1 t80 -60.04 114.6 10.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 1' ' ' CYS . 18.6 Cg_endo -74.96 -66.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.463 1.77 . . . . 0.0 111.05 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' C ' ' CE1' ' A' ' 39' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.919 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.539 ' N ' ' HB3' ' A' ' 39' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 39' ' ' TYR . 73.5 p -140.38 18.33 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.589 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 21.0 m -40.38 -65.15 0.44 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.56 1.162 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -135.76 -126.33 2.57 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.449 1.093 . . . . 0.0 111.069 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.755 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.6 Cg_endo -74.97 13.62 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 3.8 p 60.74 -50.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -48.73 122.61 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.401 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.608 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 6.8 tpt180 68.35 2.16 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' CYS . 19.6 mt-30 -128.49 -91.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.374 1.046 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.735 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 8.4 m -68.41 -25.95 65.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.07 . . . . 0.0 108.287 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.908 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -81.17 37.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' H ' ' C ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -56.79 -3.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.587 ' H ' ' C ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -91.01 158.16 42.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 54.46 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 30' ' ' THR . . . 65.17 175.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.59 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . 159.37 44.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' CYS . 3.2 m 82.82 176.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.483 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -119.18 146.19 45.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.661 ' HA ' ' CD1' ' A' ' 28' ' ' TYR . 1.6 m 36.16 62.66 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.277 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.446 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 6.4 t90 -129.49 -62.51 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.516 ' HA ' ' N ' ' A' ' 27' ' ' HIS . 2.6 mtpm? 72.51 122.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.569 HG22 ' CD2' ' A' ' 27' ' ' HIS . 14.2 p -96.34 173.55 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.435 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.25 12.41 31.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.886 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.73 -48.74 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.601 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -123.48 -83.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.48 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.648 ' O ' ' CB ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER 151.68 92.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.993 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.771 ' O ' ' HD1' ' A' ' 28' ' ' TYR . 5.6 m-70 -87.66 166.97 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.771 ' HD1' ' O ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER 166.91 25.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.738 ' SG ' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER 175.0 -165.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 108.275 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.589 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 3.5 m -127.14 -41.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.397 1.06 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.697 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 129.72 110.21 1.42 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.697 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER 145.12 -100.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 0.0 109.173 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.1 p -125.99 70.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 7.9 p -94.91 -173.68 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 108.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -149.15 34.78 0.73 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.488 1.118 . . . . 0.0 109.349 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 1.7 m -139.62 112.41 7.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.618 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.3 Cg_endo -74.99 127.57 10.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.738 ' CD2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -92.28 110.18 21.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.215 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.597 ' CD1' ' HB3' ' A' ' 26' ' ' SER . 0.1 OUTLIER 80.08 140.91 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 166.46 29.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.547 1.814 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 1.185 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.504 ' CG2' ' HA ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -143.73 -49.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.908 ' H ' ' HB2' ' A' ' 10' ' ' CYS . 1.5 m -118.58 -88.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.638 1.211 . . . . 0.0 110.4 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' HA3' ' HD3' ' A' ' 5' ' ' PRO . . . -128.75 -100.06 0.97 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.549 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -75.03 -10.46 21.17 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.594 1.839 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.911 ' CA ' ' HB3' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 73.11 -55.55 0.68 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.067 . . . . 0.0 108.272 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.779 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -53.04 68.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.334 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.817 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER 135.73 -18.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.704 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -138.72 -87.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 1.185 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -41.74 -26.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.372 1.045 . . . . 0.0 108.282 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.793 ' HA ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -95.14 31.98 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.704 ' N ' ' O ' ' A' ' 9' ' ' GLN . 2.6 pp -41.67 -32.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.793 ' HD2' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -52.47 163.99 0.69 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.0 14.0 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 30' ' ' THR . . . 73.05 139.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' HA3' ' ND1' ' A' ' 27' ' ' HIS . . . -132.0 -60.72 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.48 ' HB ' ' CB ' ' A' ' 20' ' ' TRP . 96.8 m -158.5 156.18 29.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.481 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.3 m -74.39 121.77 21.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.178 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.711 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.3 m 35.45 61.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 1.2 t-105 -115.59 -60.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.61 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 89.43 125.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.377 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.762 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 18.2 p -80.46 18.03 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.64 2.53 4.15 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.74 -82.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -48.98 -44.6 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.369 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.586 ' HB2' ' N ' ' A' ' 39' ' ' TYR . 2.6 m 86.0 89.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.036 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.762 ' CG ' ' CG2' ' A' ' 22' ' ' THR . 17.1 m170 -87.97 10.23 19.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.566 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.711 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -50.71 83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.06 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 163.66 -158.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 108.297 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -156.08 -41.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 110.475 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.775 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 109.43 108.25 3.16 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.775 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 122.61 -92.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 0.7 . . . . 0.0 109.379 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.526 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.5 m -108.99 85.64 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.665 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 12.5 m -143.33 -151.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.365 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p30 164.64 41.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.5 ' O ' HD11 ' A' ' 38' ' ' LEU . 33.2 m -114.41 149.12 41.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.686 ' HA ' ' HA ' ' A' ' 1' ' ' CYS . 18.5 Cg_endo -75.01 139.54 24.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.821 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 1.4 mp -131.18 72.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.586 ' N ' ' HB2' ' A' ' 26' ' ' SER . 33.1 t80 -176.34 146.92 0.79 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -75.06 126.56 10.0 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.58 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.508 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -146.98 14.49 1.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.9 m -50.18 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.621 1.201 . . . . 0.0 110.37 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -127.81 -134.15 3.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.829 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.08 34.01 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.812 ' SG ' ' O ' ' A' ' 5' ' ' PRO . 26.3 p 56.85 -56.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.829 ' N ' ' O ' ' A' ' 5' ' ' PRO . 45.6 m -52.46 97.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 108.279 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.744 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER 110.94 6.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 6' ' ' CYS . 3.3 mp0 -157.22 -86.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.727 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 5.0 m -58.92 -23.88 61.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.27 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.885 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -79.25 6.86 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HA ' ' NZ ' ' A' ' 11' ' ' LYS . 3.0 pp -38.72 -32.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.627 ' HB3' ' HZ3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -62.95 167.68 5.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 0.0 109.369 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.609 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -74.97 42.26 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.429 1.752 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 57.41 148.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.622 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -140.26 -106.64 0.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.425 ' CG2' ' HB3' ' A' ' 20' ' ' TRP . 1.2 m -132.49 161.06 34.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 0.825 . . . . 0.0 110.464 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.604 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -68.11 119.01 12.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.806 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 25.75 66.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.4 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.592 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 28.0 t-105 -178.29 91.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.987 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.557 ' C ' ' OG1' ' A' ' 22' ' ' THR . 0.6 OUTLIER -173.05 -113.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.199 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.557 ' OG1' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER 51.87 -175.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.64 3.83 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -151.6 -37.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.173 . . . . 0.0 109.21 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.64 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -159.85 -45.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 0.0 110.382 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.4 m 99.18 89.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.622 ' CD2' ' HA3' ' A' ' 16' ' ' GLY . 4.2 m80 -94.63 -51.7 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.806 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER 20.57 62.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.671 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 179.85 -148.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 108.296 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.561 ' CG2' ' O ' ' A' ' 30' ' ' THR . 0.9 OUTLIER -161.97 11.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.612 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 55.63 121.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.422 1.076 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.67 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 77.64 -69.91 0.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 86.73 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.945 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.569 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 18.3 p -157.96 -164.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER 179.92 69.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.831 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 1.8 m -169.98 154.24 5.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 108.27 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.588 ' C ' ' CD2' ' A' ' 38' ' ' LEU . 18.3 Cg_endo -74.97 136.7 20.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 111.081 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.885 HD13 ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -111.53 48.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.618 ' HA ' ' CB ' ' A' ' 26' ' ' SER . 4.4 t80 172.35 150.68 0.21 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' A' ' 39' ' ' TYR . 18.6 Cg_endo -75.04 168.78 24.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.584 1.834 . . . . 0.0 111.034 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.554 1.158 . . . . 0.0 111.035 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.626 ' SG ' ' O ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.676 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 1.1 m -119.03 -44.96 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.879 ' H ' ' HA ' ' A' ' 10' ' ' CYS . 84.8 m -115.14 -80.74 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.554 1.159 . . . . 0.0 110.447 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.857 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . -112.29 -123.08 4.16 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -74.98 -20.51 16.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.4 1.737 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.776 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 93.97 150.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.272 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.966 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 94.33 31.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.354 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.602 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 48.7 tpt85 173.34 -10.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.573 ' HB3' ' CG2' ' A' ' 3' ' ' THR . 1.8 mt-30 -173.77 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.879 ' HA ' ' H ' ' A' ' 3' ' ' THR . 0.0 OUTLIER -77.38 -4.61 46.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 108.306 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -129.6 25.52 5.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.63 ' HA ' ' HZ3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -36.83 -31.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HD3' ' HB3' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -37.68 156.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.309 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.07 53.92 3.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.57 1.827 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 61.33 136.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.363 1.04 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -176.54 85.08 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 29' ' ' CYS . 18.9 m 48.88 -179.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' A' ' 29' ' ' CYS . 4.7 t -117.57 12.25 14.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.68 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER 171.35 66.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.553 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 6.8 t-105 -119.77 -67.27 0.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.539 ' HA ' ' N ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 74.59 118.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.352 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.3 p -111.11 -176.83 3.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.355 1.035 . . . . 0.0 110.351 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.76 -10.02 49.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.94 -33.56 8.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.546 ' O ' ' N ' ' A' ' 27' ' ' HIS . 4.2 m -161.93 120.05 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 0.0 110.436 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -56.19 81.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.546 ' N ' ' O ' ' A' ' 25' ' ' THR . 56.4 m170 -73.94 86.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.68 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -127.15 43.99 3.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.076 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 18' ' ' THR . 1.4 m 172.69 167.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.423 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -124.66 -57.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.484 ' C ' ' SG ' ' A' ' 7' ' ' CYS . . . 159.9 109.38 0.25 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.966 ' N ' ' O ' ' A' ' 7' ' ' CYS . 33.3 mmtt 62.8 125.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 3.2 t 91.82 20.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.934 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.592 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 2.4 m -130.46 176.64 7.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 108.254 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -170.37 23.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -95.79 143.59 26.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.622 ' CB ' ' N ' ' A' ' 1' ' ' CYS . 18.5 Cg_endo -74.95 131.46 14.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.547 1.814 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.652 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 3.7 mp -108.06 55.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.562 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 2.1 t80 -168.85 149.6 4.24 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.562 ' HD2' ' CD2' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.99 65.12 6.06 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.08 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 22.3 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.6 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 158.05 -0.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 110.426 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.59 ' HB ' ' C ' ' A' ' 9' ' ' GLN . 23.8 m -59.18 -102.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' N ' HG21 ' A' ' 3' ' ' THR . . . -126.93 -117.0 2.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.737 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.0 10.82 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.925 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 4.7 p 60.98 -56.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.806 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -49.87 72.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 108.238 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.815 ' N ' ' O ' ' A' ' 6' ' ' CYS . 9.5 tpt180 106.55 -11.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.895 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -150.5 77.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.242 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 130.75 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 108.333 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.711 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -91.99 26.17 2.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.369 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 11' ' ' LYS . 1.6 pp -37.03 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.67 ' HD3' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -41.67 163.58 0.11 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.05 44.16 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.465 1.771 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 60.1 115.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.505 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -114.38 -118.06 3.3 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.558 ' HB ' ' CB ' ' A' ' 20' ' ' TRP . 3.7 m -144.0 129.25 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.46 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.1 m -34.88 129.8 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.594 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 2.9 m 27.18 56.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 108.2 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.558 ' CB ' ' HB ' ' A' ' 17' ' ' THR . 60.8 t-105 -97.79 -61.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.049 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HA ' ' H ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 75.2 121.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.362 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.553 HG23 ' CD2' ' A' ' 27' ' ' HIS . 27.5 p -73.76 -144.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.1 19.19 19.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.962 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tt -176.82 -67.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.599 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.3 m -52.55 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.599 ' CB ' ' O ' ' A' ' 25' ' ' THR . 25.7 t 150.98 97.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.613 1.195 . . . . 0.0 109.967 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.553 ' CD2' HG23 ' A' ' 22' ' ' THR . 2.8 m-70 -92.22 32.5 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.593 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.594 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -63.87 50.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 111.008 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.595 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 17.9 t 176.31 171.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 108.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.546 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -127.49 -44.74 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 110.352 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.501 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 131.8 109.41 1.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.806 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER 67.97 112.69 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.439 0.729 . . . . 0.0 109.219 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.6 t 90.06 45.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.1 m -138.76 -164.68 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 108.251 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 166.15 40.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -118.84 147.59 42.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 108.342 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.04 124.36 8.54 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.457 1.767 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.925 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 2.1 mp -96.94 57.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.725 ' HB2' ' N ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 166.83 87.95 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 111.043 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD3' ' HB2' ' A' ' 26' ' ' SER . 18.0 Cg_endo -75.07 147.56 33.83 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.452 1.764 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.128 . . . . 0.0 111.05 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.687 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.618 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 163.48 74.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.634 ' HB ' ' CB ' ' A' ' 10' ' ' CYS . 52.5 m -144.2 -100.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.75 -100.42 0.5 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.515 1.135 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.679 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.96 -5.05 16.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.723 ' HA ' ' N ' ' A' ' 10' ' ' CYS . 6.3 p 62.67 -55.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 108.26 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.743 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -50.19 103.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 108.267 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.735 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 80.13 5.38 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 6' ' ' CYS . 4.9 mt-30 -136.48 -101.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.723 ' N ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -58.0 -17.08 15.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.34 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.857 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -98.5 72.99 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.88 10.5 15.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.62 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -100.45 -177.45 0.57 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.03 -167.07 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.588 1.836 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.518 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . -82.26 118.6 23.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.666 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -111.17 -97.17 2.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.544 1.153 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 16' ' ' GLY . 29.0 m -162.16 175.22 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.435 ' N ' ' CG2' ' A' ' 17' ' ' THR . 1.0 OUTLIER -82.65 118.11 23.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 110.384 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 57.9 m 38.98 63.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.592 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 2.7 t90 -113.12 -76.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 107.975 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.647 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 89.57 121.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.729 ' CG2' ' CE1' ' A' ' 27' ' ' HIS . 73.0 p -75.94 -114.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.75 16.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.61 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -152.2 -71.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.649 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.0 m -75.23 -56.82 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.338 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.9 t 100.12 107.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.729 ' CE1' ' CG2' ' A' ' 22' ' ' THR . 6.5 m-70 -67.8 -87.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER 44.08 37.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 8.2 t -179.26 -137.76 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.538 ' O ' ' NZ ' ' A' ' 11' ' ' LYS . 0.9 OUTLIER 166.93 -27.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.445 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.533 ' HA2' ' HG2' ' A' ' 11' ' ' LYS . . . 110.23 107.92 3.08 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.51 1.132 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.743 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 68.71 112.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 90.06 44.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.156 . . . . 0.0 110.054 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 20.8 m -135.89 -158.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.175 . . . . 0.0 108.346 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 2.6 p30 155.84 42.94 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.531 1.144 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -130.87 149.48 73.8 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 108.273 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.6 Cg_endo -74.98 131.53 14.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.811 . . . . 0.0 111.059 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.796 ' CD1' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -114.57 50.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CE2' ' O ' ' A' ' 40' ' ' PRO . 0.3 OUTLIER -133.46 165.24 38.22 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.568 ' O ' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.07 161.73 38.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.906 0 O-C-N 124.469 1.106 . . . . 0.0 111.124 179.885 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.517 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 13.9 p . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 164.87 -15.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.372 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.429 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 91.9 m -58.33 -104.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.489 ' N ' ' OE1' ' A' ' 9' ' ' GLN . . . -124.64 -117.99 2.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.917 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.02 13.9 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.859 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 20.0 p 54.79 -48.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.917 ' N ' ' O ' ' A' ' 5' ' ' PRO . 7.3 m -48.22 118.15 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.665 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 78.78 -24.21 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 6' ' ' CYS . 45.9 mt-30 -93.39 -86.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.817 ' O ' ' HB2' ' A' ' 6' ' ' CYS . 6.1 p -126.86 85.4 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.859 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -172.49 29.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -56.14 -11.56 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.769 ' HZ3' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -40.14 143.66 0.61 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.433 1.083 . . . . 0.0 109.381 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.05 45.16 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.551 1.816 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' HA ' ' CB ' ' A' ' 30' ' ' THR . . . 71.29 124.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.526 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -130.37 -74.98 0.14 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.574 1.171 . . . . 0.0 111.014 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.538 ' O ' ' N ' ' A' ' 29' ' ' CYS . 5.1 m -158.22 -163.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 0.804 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -129.82 126.29 37.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.621 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 1.5 m 38.63 66.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 0.0 108.349 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.654 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 11.8 t-105 -139.2 -73.64 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 108.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.654 ' CG ' ' O ' ' A' ' 20' ' ' TRP . 0.0 OUTLIER 99.71 136.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.579 ' O ' ' CB ' ' A' ' 23' ' ' SER . 22.1 p -80.79 -69.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 22' ' ' THR . 0.7 OUTLIER 153.29 -18.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.586 1.178 . . . . 0.0 109.929 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -118.1 -61.37 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.769 ' CG2' ' HZ3' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -84.28 -71.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.382 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.754 ' CB ' ' O ' ' A' ' 25' ' ' THR . 60.1 m 123.47 114.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.958 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.526 ' CG ' ' HA3' ' A' ' 16' ' ' GLY . 50.2 m170 -92.32 -95.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.718 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER 64.59 6.47 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.822 ' SG ' ' CD2' ' A' ' 38' ' ' LEU . 26.0 p 176.18 -158.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.5 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 56.0 p -138.82 -63.3 0.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.858 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . 170.52 115.56 0.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 53.93 140.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.24 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 7.3 t 85.87 -35.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.756 ' SG ' ' HB2' ' A' ' 29' ' ' CYS . 15.1 p -57.41 -159.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 108.32 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 t0 179.03 66.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -178.17 127.74 0.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 108.259 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.718 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -75.01 154.84 42.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.822 ' CD2' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -99.21 64.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -108.22 119.85 48.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 66.39 5.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.889 ' N ' ' H ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.622 ' N ' ' HB3' ' A' ' 10' ' ' CYS . 1.5 m -75.31 -19.32 59.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.787 ' CG2' ' HB3' ' A' ' 9' ' ' GLN . 98.9 m -123.41 -108.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.701 ' N ' ' SG ' ' A' ' 10' ' ' CYS . . . -130.18 -96.47 0.76 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.474 ' O ' ' O ' ' A' ' 34' ' ' CYS . 18.3 Cg_endo -75.11 6.42 3.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.246 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 17.5 p 47.85 -134.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 108.308 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.758 ' C ' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER 36.8 52.64 1.04 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.354 1.034 . . . . 0.0 108.347 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.677 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 14.3 tpp180 142.4 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.787 ' HB3' ' CG2' ' A' ' 3' ' ' THR . 6.4 mt-30 -108.65 -81.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.735 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 1.8 m -49.68 -40.36 39.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 108.243 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.709 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -77.52 38.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.565 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 0.2 OUTLIER -68.76 -9.14 49.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.709 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.12 -174.2 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.0 59.71 5.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.98 96.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.559 ' N ' ' NZ ' ' A' ' 13' ' ' LYS . . . -70.51 -153.83 1.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.421 1.076 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' CYS . 34.8 m -121.77 -125.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.409 0.711 . . . . 0.0 110.352 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -123.61 103.09 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.369 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 1.001 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 86.7 m 29.88 80.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.192 . . . . 0.0 108.347 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.643 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 5.1 m95 -134.19 -60.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.009 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.548 ' HA ' ' N ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 65.51 135.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.629 ' CG2' ' CD2' ' A' ' 27' ' ' HIS . 27.9 p -100.33 -127.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.423 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.419 ' N ' ' OG1' ' A' ' 22' ' ' THR . 5.5 m -106.19 -6.79 18.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.48 -76.2 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -75.41 103.67 5.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.595 ' O ' ' N ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -64.03 70.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.629 ' CD2' ' CG2' ' A' ' 22' ' ' THR . 4.1 p80 -61.06 68.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.579 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 1.001 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -105.87 18.28 22.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.246 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 11.6 m -152.16 -177.71 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 108.26 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.487 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 5.0 t -136.78 -35.1 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.505 ' C ' ' SG ' ' A' ' 7' ' ' CYS . . . 135.41 115.63 1.51 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.758 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 61.47 114.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.394 0.702 . . . . 0.0 109.353 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.629 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 3.4 t 97.87 29.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.583 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.5 m -139.42 169.68 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 5' ' ' PRO . 19.4 t0 -166.24 30.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.652 ' CB ' ' HB3' ' A' ' 28' ' ' TYR . 92.0 m -100.31 165.48 14.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 108.371 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.609 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -75.06 149.66 36.76 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.889 ' H ' ' N ' ' A' ' 1' ' ' CYS . 1.1 mt -142.75 37.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.379 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.506 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 0.6 OUTLIER -159.79 151.83 17.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.06 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.506 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.02 161.95 37.88 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.563 1.823 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.948 ' SG ' ' O ' ' A' ' 4' ' ' GLY . 5.6 t . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.551 ' HB ' ' O ' ' A' ' 10' ' ' CYS . 1.1 m -171.48 -30.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.663 ' HB ' ' O ' ' A' ' 9' ' ' GLN . 1.8 m -149.09 -85.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.948 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -99.3 -139.07 10.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' O ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo -74.95 13.85 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.959 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER 50.87 105.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 108.292 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.831 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 1.6 m 141.85 43.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 108.265 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 8.7 tpp180 144.37 -10.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.663 ' O ' ' HB ' ' A' ' 3' ' ' THR . 3.7 mt-30 -173.66 56.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.771 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER 170.31 -39.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 108.294 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.605 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -87.88 15.17 7.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.51 1.131 . . . . 0.0 109.37 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.517 ' O ' ' O ' ' A' ' 13' ' ' LYS . 4.5 pp -35.46 -35.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.612 1.195 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.657 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.44 177.46 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.03 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.455 1.766 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . -35.23 136.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.546 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -127.43 -86.04 0.53 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.442 ' O ' ' O ' ' A' ' 29' ' ' CYS . 6.0 m -157.41 -142.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.518 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER -119.74 123.9 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.791 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.3 m 33.41 77.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.594 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -134.39 -76.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.007 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.595 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 93.06 125.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' A' ' 21' ' ' LYS . 6.9 t 173.98 -168.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.489 ' N ' ' OG1' ' A' ' 22' ' ' THR . 0.5 OUTLIER 51.09 19.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 0.8 OUTLIER 78.07 -1.34 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 27' ' ' HIS . 27.6 m -125.64 111.52 15.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.638 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 4.0 m -51.75 78.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.649 ' N ' ' O ' ' A' ' 25' ' ' THR . 3.1 m-70 -40.69 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.587 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.791 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.5 m-85 29.51 36.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.029 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER 170.95 -167.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 108.39 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -159.11 -66.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.478 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.632 ' O ' ' CD ' ' A' ' 32' ' ' LYS . . . 167.58 116.39 0.36 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.695 ' H ' ' CA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 43.97 24.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.457 ' N ' ' C ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -153.69 51.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 1.029 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 20.3 p -165.31 -143.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 108.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 153.86 39.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 109.235 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.959 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -128.51 161.22 58.29 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.28 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.744 ' CB ' ' N ' ' A' ' 1' ' ' CYS . 17.9 Cg_endo -75.05 145.87 31.78 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.707 ' H ' ' CA ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -124.13 63.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.7 116.88 2.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' N ' ' HG ' ' A' ' 26' ' ' SER . 18.1 Cg_endo -75.05 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 1.192 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 3.5 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.764 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 1.1 m -153.97 -4.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.799 ' N ' ' HB2' ' A' ' 10' ' ' CYS . 1.2 m -170.78 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.552 1.157 . . . . 0.0 110.485 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.636 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -136.01 -106.27 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.642 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.01 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.98 ' HA ' ' HB3' ' A' ' 10' ' ' CYS . 1.7 p 64.95 -53.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.869 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -51.02 75.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 108.292 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.759 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER 109.33 -15.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.284 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.941 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 12.4 mt-30 -148.06 72.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.261 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 1.192 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 132.66 -12.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.213 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.869 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -107.43 22.97 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HG ' ' CE ' ' A' ' 13' ' ' LYS . 3.0 pp -36.13 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.909 ' HZ3' ' HB2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.76 156.1 0.46 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.01 31.26 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.432 1.753 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 14' ' ' PRO . . . 84.55 151.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' THR . . . 174.95 86.85 0.06 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.442 1.089 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.548 ' O ' ' C ' ' A' ' 29' ' ' CYS . 21.1 m 45.19 -172.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 110.432 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.557 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 5.8 t -109.87 7.74 24.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.475 1.109 . . . . 0.0 110.445 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.769 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.4 m 173.5 77.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.346 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.631 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -118.7 -68.75 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.047 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.582 ' N ' ' HD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 79.63 124.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.451 ' CG2' ' CD2' ' A' ' 27' ' ' HIS . 52.2 p -84.43 -119.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.79 15.14 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.081 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.81 -71.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.8 OUTLIER -56.55 -51.92 66.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.595 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 10.1 m 83.56 92.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.087 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.677 ' O ' ' CG ' ' A' ' 38' ' ' LEU . 6.6 m-70 -65.09 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.571 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.769 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER 66.3 48.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.583 ' HA ' ' HB2' ' A' ' 34' ' ' CYS . 1.4 t 179.62 167.21 1.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 108.248 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.615 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 22.5 m -132.59 -58.38 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.635 1.21 . . . . 0.0 110.44 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.717 ' O ' ' HB3' ' A' ' 32' ' ' LYS . . . 152.89 111.68 0.47 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.615 1.197 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.717 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 82.65 -69.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.64 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 30.0 t -67.3 -98.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 110.069 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.761 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 27.2 p 23.2 -130.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 108.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.761 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 23.2 t70 124.64 47.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -138.16 159.23 69.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 108.335 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.688 ' CB ' ' N ' ' A' ' 1' ' ' CYS . 18.1 Cg_endo -75.1 145.31 30.97 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.909 ' HB2' ' HZ3' ' A' ' 13' ' ' LYS . 2.1 mp -125.3 48.99 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.576 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.3 OUTLIER 167.81 140.67 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.574 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 18.1 Cg_endo -75.1 156.23 42.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 111.028 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.743 ' HB ' ' O ' ' A' ' 10' ' ' CYS . 1.0 OUTLIER -162.36 -20.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.351 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.899 ' H ' ' HB2' ' A' ' 10' ' ' CYS . 7.6 m -152.27 -82.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.508 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.02 -88.9 0.08 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.538 1.148 . . . . 0.0 111.033 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.528 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo -74.97 -18.49 18.78 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.887 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.5 OUTLIER 73.73 -55.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 108.329 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -55.1 74.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 108.332 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.767 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 6.7 tpm_? 123.47 -16.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.514 ' HB3' ' CG2' ' A' ' 3' ' ' THR . 27.2 mm-40 -134.15 -92.16 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.351 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 1.225 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -44.09 -21.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 108.291 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.832 ' HZ3' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -99.68 43.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -56.24 -23.58 36.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.832 ' HG2' ' HZ3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -68.98 164.78 44.34 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.646 ' O ' ' C ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.87 147.27 34.3 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 0.0 111.017 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.646 ' C ' ' O ' ' A' ' 14' ' ' PRO . . . -18.17 108.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.503 ' HA3' ' HB2' ' A' ' 27' ' ' HIS . . . -95.85 -106.05 2.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.562 1.164 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 29' ' ' CYS . 11.8 m -157.35 -177.69 6.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.576 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -86.57 109.37 19.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.969 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 20.2 m 27.81 74.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 108.239 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.612 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 5.5 t-105 -123.82 -60.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 107.997 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HA ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 79.75 118.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.59 HG23 ' CG ' ' A' ' 27' ' ' HIS . 41.2 p -79.56 -71.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -174.97 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.44 1.087 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.38 -40.15 2.71 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.514 1.134 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.656 HG21 ' HZ3' ' A' ' 13' ' ' LYS . 1.7 m -82.22 -32.94 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.483 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.585 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 2.9 m 57.22 72.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.59 ' CG ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -74.06 93.47 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.572 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.969 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -118.08 9.25 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.543 ' HB3' ' CB ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -146.93 -169.82 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.322 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 m -135.64 -14.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.573 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . 98.28 115.23 3.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.769 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 80.46 107.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER 80.92 53.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.995 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.562 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.3 m -148.39 175.72 10.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 108.356 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 5' ' ' PRO . 30.3 t0 -168.94 43.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.937 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 5.9 m -117.46 148.62 43.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 108.299 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.773 ' HA ' ' HA ' ' A' ' 1' ' ' CYS . 18.6 Cg_endo -74.99 145.15 31.12 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.887 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 1.9 mp -133.11 63.86 1.63 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.645 ' CD1' ' OG1' ' A' ' 2' ' ' THR . 0.1 OUTLIER -139.54 162.84 49.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.579 1.831 . . . . 0.0 111.046 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.906 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.896 ' SG ' ' O ' ' A' ' 4' ' ' GLY . 1.4 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.701 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 10.6 m -69.52 -67.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.434 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.651 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 47.0 m -71.07 -95.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.579 1.174 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.896 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -127.42 -99.25 1.03 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.557 1.16 . . . . 0.0 111.057 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.773 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.6 Cg_endo -74.88 -0.41 9.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.966 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 8.5 p 68.17 -56.82 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 108.362 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.709 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.3 m -56.77 97.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.705 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 4.5 tpp180 103.81 5.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.528 ' HB3' ' CB ' ' A' ' 3' ' ' THR . 77.6 mt-30 -150.09 -81.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.966 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -70.23 -19.45 63.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.427 1.08 . . . . 0.0 108.283 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.721 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -84.56 26.32 0.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 0.4 OUTLIER -73.45 4.66 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.667 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -70.25 -169.83 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.667 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.07 8.75 2.3 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 73.14 124.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -138.67 -153.28 6.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.592 ' OG1' ' CG ' ' A' ' 20' ' ' TRP . 0.3 OUTLIER -78.49 149.27 33.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 0.753 . . . . 0.0 110.443 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.406 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 1.5 t -46.17 -22.76 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.741 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 19.5 m -162.86 66.38 0.2 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 108.314 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.592 ' CG ' ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -94.78 -73.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.057 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.605 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 1.8 tptm 71.1 119.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.568 HG22 ' CD2' ' A' ' 27' ' ' HIS . 40.3 p -101.17 -141.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.99 10.01 18.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.34 -40.37 1.97 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.092 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -149.34 157.12 43.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.449 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.74 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -86.63 75.03 9.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.973 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.644 ' C ' ' CD2' ' A' ' 38' ' ' LEU . 10.6 m170 -45.13 -17.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.615 1.197 . . . . 0.0 109.62 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 1.024 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 1.5 m-85 -31.17 87.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.616 ' N ' ' O ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER 158.15 -172.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.604 1.19 . . . . 0.0 108.282 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.569 HG21 ' HB3' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -148.77 -61.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.591 ' O ' ' CD ' ' A' ' 32' ' ' LYS . . . 156.87 114.75 0.45 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.591 ' CD ' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 40.26 28.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 0.713 . . . . 0.0 109.333 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.47 ' N ' ' C ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -159.41 47.11 0.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.947 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.588 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 23.9 p -155.48 -153.08 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 169.67 35.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 1.024 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 36.5 m -112.67 169.93 5.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.671 ' HD2' ' HB3' ' A' ' 36' ' ' CYS . 18.5 Cg_endo -74.95 156.56 43.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.834 HD11 ' SG ' ' A' ' 6' ' ' CYS . 22.0 mt -147.02 49.99 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CD2' ' O ' ' A' ' 40' ' ' PRO . 2.2 p90 -146.51 155.33 49.36 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.478 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -75.05 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.387 1.73 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.086 0 O-C-N 124.599 1.187 . . . . 0.0 110.9 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 38' ' ' LEU . 96.0 m -118.73 -9.36 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.568 ' HB ' ' CA ' ' A' ' 10' ' ' CYS . 20.3 m -156.59 -100.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.357 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.702 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -100.72 -117.25 4.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.054 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 18.0 Cg_endo -74.99 -23.34 13.92 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER 88.4 110.97 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.853 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.6 m 135.71 52.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.658 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 144.38 -14.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.471 ' HB3' ' CG2' ' A' ' 3' ' ' THR . 5.8 mt-30 -156.16 -41.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.222 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.863 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -98.46 18.85 15.61 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 108.346 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.935 ' HA ' HD11 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -129.77 0.5 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.336 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.599 ' C ' ' O ' ' A' ' 11' ' ' LYS . 3.2 pp -24.05 -42.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.653 ' N ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -48.8 176.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.506 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.04 151.71 39.67 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.543 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . -48.07 142.28 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.709 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -164.56 69.83 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.525 ' O ' ' C ' ' A' ' 29' ' ' CYS . 18.9 m 32.59 -134.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 0.76 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 19' ' ' CYS . 1.7 m -140.98 142.63 34.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.396 1.06 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.664 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 61.6 m 40.43 69.92 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 108.351 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.551 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 3.4 t-105 -125.74 -75.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 107.983 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 92.55 128.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.62 HG21 ' CE1' ' A' ' 27' ' ' HIS . 37.9 p -90.15 -2.47 58.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 22' ' ' THR . 4.4 t 91.62 -30.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 tt -108.76 -64.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 109.321 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.755 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -73.77 -77.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.755 ' CB ' ' O ' ' A' ' 25' ' ' THR . 73.9 m 123.73 75.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.709 ' CG ' ' HA3' ' A' ' 16' ' ' GLY . 42.8 m170 -47.04 -73.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.557 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.664 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.4 m-85 30.75 49.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.416 1.072 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.36 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.9 OUTLIER 155.65 -175.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.411 1.07 . . . . 0.0 108.33 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.556 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -152.33 -40.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.557 ' C ' ' CD ' ' A' ' 32' ' ' LYS . . . 142.62 119.34 1.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.651 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 38.66 74.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.242 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.6 m 153.47 36.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 1.36 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 7.3 p -150.82 -156.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.351 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 1.2 t0 170.36 38.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.91 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -126.71 154.1 75.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.402 1.064 . . . . 0.0 108.374 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.628 ' CB ' ' N ' ' A' ' 1' ' ' CYS . 18.3 Cg_endo -74.95 136.34 20.37 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.544 1.813 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.935 HD11 ' HA ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -124.47 68.95 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 69.0 t80 -164.27 147.38 7.63 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.524 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -74.87 101.25 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 111.026 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.087 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 1.245 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.654 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 154.89 -9.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.452 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.639 ' OG1' ' CA ' ' A' ' 10' ' ' CYS . 46.8 p -61.12 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.505 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.502 ' N ' ' OG1' ' A' ' 3' ' ' THR . . . -94.8 -147.82 23.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.705 ' O ' ' C ' ' A' ' 6' ' ' CYS . 18.1 Cg_endo -75.05 48.84 2.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.84 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER 13.91 104.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 108.242 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.818 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER 154.63 45.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.22 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.633 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 3.3 tpt180 144.98 -9.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -146.22 -68.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 1.245 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -60.77 -41.14 94.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.329 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.692 ' HB2' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -83.96 56.8 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.637 1.211 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -6.81 37.72 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.718 ' HD3' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -86.38 166.27 28.94 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.547 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.04 129.48 12.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.817 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HA ' ' CE ' ' A' ' 11' ' ' LYS . . . -39.85 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.513 ' O ' ' OG1' ' A' ' 17' ' ' THR . . . -100.07 -61.93 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.526 HG22 ' CG ' ' A' ' 20' ' ' TRP . 91.4 m -161.86 157.53 24.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -82.45 111.5 18.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.865 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 4.5 m 46.97 62.11 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.382 1.051 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.565 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 2.2 t-105 -117.87 -59.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' N ' ' HD1' ' A' ' 27' ' ' HIS . 1.2 tptp 76.24 119.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.594 HG21 ' CG ' ' A' ' 27' ' ' HIS . 46.8 p -73.57 -131.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.87 20.92 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.968 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -165.63 -40.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.662 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -92.29 -64.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.662 ' CB ' ' O ' ' A' ' 25' ' ' THR . 4.4 m 99.09 76.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.934 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.594 ' CG ' HG21 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.66 91.19 7.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.616 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.865 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -118.26 50.4 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.588 ' SG ' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -171.71 -152.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.5 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 6.3 t -160.56 -38.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 127.56 117.28 2.05 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.715 ' H ' ' CA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 69.99 -59.76 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 0.722 . . . . 0.0 109.251 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.489 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 3.4 p -90.61 75.62 6.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.017 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.818 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 10.0 p 176.98 174.6 0.41 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.426 1.079 . . . . 0.0 108.278 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -173.64 34.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.84 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -103.79 153.09 38.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.0 Cg_endo -75.06 123.53 7.92 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.54 1.81 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.739 ' HB2' ' HB3' ' A' ' 1' ' ' CYS . 1.3 mp -97.06 51.04 1.1 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.618 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.2 OUTLIER 164.24 -54.17 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.97 156.78 43.15 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.455 1.766 . . . . 0.0 111.075 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.863 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.765 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -172.46 27.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.396 1.06 . . . . 0.0 110.419 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.624 ' HB ' ' C ' ' A' ' 9' ' ' GLN . 84.4 m -88.01 -95.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -126.72 -119.93 2.32 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.703 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo -75.08 12.03 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.159 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 2.8 p 67.48 -56.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.485 1.116 . . . . 0.0 108.289 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 3.8 m -50.79 86.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 108.259 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.679 ' HB3' ' O ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER 91.56 -6.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.206 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 1.061 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 8.3 mt-30 -152.84 79.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 1.117 ' CB ' ' HA ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER 135.76 -56.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.25 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.617 ' CB ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -70.93 31.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.634 ' H ' ' C ' ' A' ' 10' ' ' CYS . 2.9 pp -49.5 -19.03 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.725 ' HB2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -75.48 179.39 1.43 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.725 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -74.97 34.33 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.431 1.753 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' O ' ' CE1' ' A' ' 27' ' ' HIS . . . 35.0 -154.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.588 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . 165.75 -69.34 0.19 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 29' ' ' CYS . 2.4 m -123.13 -138.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.354 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.02 1.94 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.713 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 170.57 40.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.428 ' H ' ' HA ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -123.34 99.82 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.847 ' O ' ' CB ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -82.7 128.28 34.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.847 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 10.5 t 126.78 -143.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.784 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER 57.77 18.12 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.971 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.784 ' CB ' ' O ' ' A' ' 23' ' ' SER . 48.2 tp 121.51 -7.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.595 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER 159.79 151.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.369 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.618 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 1.8 m -40.3 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.374 1.046 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.588 ' CD2' ' HA3' ' A' ' 16' ' ' GLY . 1.2 m-70 -106.14 38.68 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.729 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.713 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -78.36 32.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.95 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 4.2 t -170.32 175.69 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 108.278 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.494 ' CA ' ' HB2' ' A' ' 15' ' ' ALA . 0.6 OUTLIER -126.86 -34.89 2.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.478 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 115.67 109.79 2.7 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.568 1.167 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.607 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER 84.59 -54.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.441 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 2.3 m -109.67 83.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.072 . . . . 0.0 110.082 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 31.9 p -166.96 -151.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 1.2 m-20 154.0 69.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 109.281 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -162.25 148.4 10.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 108.241 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.612 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -75.02 138.57 23.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.782 HD22 ' N ' ' A' ' 29' ' ' CYS . 0.4 OUTLIER -116.83 67.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CZ ' ' HA2' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -158.14 131.46 4.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 101.13 1.43 Allowed 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.503 ' HA2' ' CZ ' ' A' ' 39' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.898 ' N ' ' CB ' ' A' ' 37' ' ' PRO . 2.5 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.643 ' CA ' ' HB2' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -162.77 -6.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.594 ' N ' ' CB ' ' A' ' 10' ' ' CYS . 98.1 m -158.07 -90.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 110.463 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.647 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -125.03 -111.01 1.84 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.56 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.7 Cg_endo -74.81 3.06 5.85 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.494 1.786 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.883 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER 68.18 -57.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.851 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -50.18 107.45 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.27 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.712 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 69.6 28.0 4.64 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.092 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 15.8 mm100 -157.05 -85.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.883 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -93.1 34.17 1.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.835 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -141.62 28.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.605 1.191 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -45.38 -19.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.684 ' HD3' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -40.03 162.65 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.02 33.04 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 59.07 111.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.722 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -102.21 -89.17 2.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.064 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.847 ' HB ' ' HE2' ' A' ' 27' ' ' HIS . 21.0 m -157.46 -110.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.386 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.424 ' N ' ' CG2' ' A' ' 17' ' ' THR . 1.2 m -144.98 108.44 4.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.911 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 95.2 m 41.24 87.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.73 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t90 -141.88 -50.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 12.6 tptm 72.08 130.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.483 ' O ' ' O ' ' A' ' 25' ' ' THR . 3.4 t -177.78 -177.03 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.545 ' O ' ' HB3' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 50.87 25.07 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.119 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.545 ' HB3' ' O ' ' A' ' 23' ' ' SER . 2.8 tt 73.5 5.55 4.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.635 1.209 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -129.06 130.47 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.495 ' CB ' ' HA ' ' A' ' 38' ' ' LEU . 2.3 m -60.62 71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.936 ' HD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -44.41 -23.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.576 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.936 ' N ' ' HD1' ' A' ' 27' ' ' HIS . 2.8 m-85 -21.42 77.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.797 ' HB2' ' O ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 156.43 -167.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.3 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.652 ' N ' ' HZ3' ' A' ' 11' ' ' LYS . 1.6 t -153.86 -51.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.397 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.526 ' O ' ' HB3' ' A' ' 32' ' ' LYS . . . 138.34 113.18 1.14 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.691 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 74.2 -53.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.486 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 46.9 p -99.14 74.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.851 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 17.4 p -170.79 -165.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 108.313 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.504 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 52.1 t0 168.36 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.604 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 62.6 m -115.79 158.32 42.39 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 108.329 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.898 ' CB ' ' N ' ' A' ' 1' ' ' CYS . 18.1 Cg_endo -75.06 144.58 30.2 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.876 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 2.3 mp -135.27 60.15 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -116.4 145.4 35.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.068 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.36 16.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.599 ' O ' ' CB ' ' A' ' 2' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.668 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER 159.13 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.668 ' O ' ' O ' ' A' ' 2' ' ' THR . 2.6 m -50.55 -131.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -101.33 -111.5 3.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.919 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.0 21.51 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 19.7 p 51.88 -59.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 108.394 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.291 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 1.4 m -39.97 107.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 108.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.58 ' HG2' ' C ' ' A' ' 7' ' ' CYS . 4.5 mmm180 89.51 -14.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.945 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 3.9 mm-40 -147.15 70.01 1.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.242 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.945 ' SG ' ' O ' ' A' ' 9' ' ' GLN . 63.0 m 140.32 -58.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.859 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -50.64 -3.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.668 ' H ' ' C ' ' A' ' 10' ' ' CYS . 1.3 pp -36.44 -25.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.72 ' HZ3' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -52.52 172.44 0.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.668 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.98 44.79 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.601 1.843 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 57.53 148.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.559 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -145.48 -83.75 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' ' CA ' ' A' ' 29' ' ' CYS . 3.1 m -156.88 -145.36 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 19' ' ' CYS . 1.8 t -124.1 5.84 8.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.364 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.712 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 164.48 60.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 108.274 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.656 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 42.3 t-105 -111.01 -71.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 0.0 OUTLIER 74.94 119.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 23' ' ' SER . 63.9 p -78.08 -111.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 110.482 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' ' OG1' ' A' ' 22' ' ' THR . 1.5 m -147.86 17.0 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.077 . . . . 0.0 110.002 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.12 -71.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.72 ' CG2' ' HZ3' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -61.06 -47.16 87.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.58 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 0.4 OUTLIER 71.56 88.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.037 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.615 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 19.4 m-70 -58.38 -104.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.657 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.712 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER 65.41 33.73 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.997 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 11.5 t 174.92 169.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 108.274 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.551 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -129.28 -76.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.685 ' HA2' ' HG2' ' A' ' 11' ' ' LYS . . . 178.5 110.72 0.28 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.764 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.0 OUTLIER 66.81 95.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.474 0.75 . . . . 0.0 109.326 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.764 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 58.0 m 123.23 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.059 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 1.291 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 27.6 p 28.57 -141.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 108.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 2.2 m-20 149.0 58.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.62 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -167.27 148.48 5.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.269 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' HD2' ' HD2' ' A' ' 28' ' ' TYR . 18.3 Cg_endo -75.04 140.44 25.34 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.57 1.826 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.859 ' CD1' ' HA ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -104.21 45.81 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -163.56 150.08 10.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.88 60.68 5.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.414 1.744 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.13 . . . . 0.0 111.058 -179.982 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 1.417 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.853 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -172.61 64.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.536 ' HB ' ' O ' ' A' ' 9' ' ' GLN . 8.1 m -133.68 -95.38 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.485 ' N ' HG22 ' A' ' 3' ' ' THR . . . -130.66 -115.58 1.75 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.743 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -75.04 7.64 2.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 1.073 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 13.8 p 62.4 -54.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.072 . . . . 0.0 108.36 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.793 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -49.6 82.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 108.28 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.711 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 2.8 mmm180 99.7 -13.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 1.002 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 3.9 mt-30 -146.35 75.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 1.417 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 2.7 t 138.3 -55.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.239 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.846 ' HZ3' ' CA ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -69.54 37.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.606 ' H ' ' C ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -48.38 -14.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.608 ' HE2' HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -59.23 158.84 17.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.896 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 48.91 2.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 71.56 119.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' CA ' ' CG ' ' A' ' 27' ' ' HIS . . . -114.84 -100.72 2.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.393 1.058 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 29' ' ' CYS . 75.6 m -145.5 -119.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 19' ' ' CYS . 4.3 m -161.24 116.94 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 39.7 m 37.79 58.87 1.36 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 108.344 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.598 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 3.6 t-105 -128.16 -71.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 107.94 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.635 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 89.2 122.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.542 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 73.1 p -77.38 179.68 6.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.173 . . . . 0.0 110.41 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.486 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -88.91 12.65 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -130.48 -76.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 26' ' ' SER . 1.6 m -93.03 -100.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.454 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.509 ' N ' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER 176.43 115.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CG ' ' CG2' ' A' ' 22' ' ' THR . 36.9 m170 -100.92 30.8 3.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -68.78 44.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 16.2 t 173.88 167.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 108.258 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.564 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -122.07 -43.55 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.846 ' CA ' ' HZ3' ' A' ' 11' ' ' LYS . . . 128.42 107.6 1.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.793 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 18.2 tptp 79.19 107.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.805 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.7 t 87.17 52.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 28.2 m -134.7 -168.82 2.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 5' ' ' PRO . 40.4 t0 173.09 40.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.459 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -131.56 141.3 41.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.3 Cg_endo -75.05 137.14 21.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.862 ' HB2' ' HB3' ' A' ' 1' ' ' CYS . 2.1 mp -107.7 56.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.556 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.6 p90 -139.46 140.65 26.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.96 134.14 17.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.773 . . . . 0.0 111.072 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 -179.951 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 1.511 ' HB3' ' SG ' ' A' ' 1' ' ' CYS 0.853 0.0 OUTLIER . . . . . 3 CA--C 0.845 -26.162 1 CA-C-O 107.095 -6.193 . . . . 3.04 107.895 . . . . . . . . . 5 3 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 1.614 ' HG1' ' CA ' ' A' ' 2' ' ' THR 0.82 0.5 OUTLIER -173.66 1.19 0.01 OUTLIER 'General case' 3 N--CA 0.821 -31.921 2 O-C-N 140.009 10.818 . . . . 3.54 126.232 -179.942 . . . . . . . . 6 4 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 1.249 ' HG1' ' CB ' ' A' ' 3' ' ' THR . 90.4 m -104.67 -94.81 0.34 Allowed 'General case' 1 C--N 1.014 -13.992 3 O-C-N 103.89 -11.756 . . . . 1.6200000000000001 110.488 -179.997 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.44 -116.1 2.33 Favored Glycine 0 C--N 1.286 -2.247 0 N-CA-C 111.86 -0.496 . . . . 0.97999999999999998 111.86 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo -73.95 8.47 2.02 Favored 'Trans proline' 0 C--O 1.155 -3.633 0 O-C-N 124.887 1.993 . . . . 0.83999999999999997 111.406 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.699 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 3.9 p 57.92 -60.2 0.03 OUTLIER 'General case' 1 C--O 0.684 -28.7 0 CA-C-O 128.136 3.827 . . . . 1.5800000000000001 107.501 -179.91 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.914 ' SG ' ' CB ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -45.44 80.43 0.0 OUTLIER 'General case' 2 C--N 0.972 -15.812 3 O-C-N 90.762 -19.961 . . . . 0.97999999999999998 108.38 179.921 . . . . . . . . 5 4 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.746 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 27.7 tpt180 111.38 -11.11 0.01 OUTLIER 'General case' 0 C--N 1.261 -3.275 0 O-C-N 120.947 -1.095 . . . . 3.2999999999999998 110.755 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -138.98 -63.32 0.53 Allowed 'General case' 1 C--O 0.64 -31.006 1 CA-C-O 130.597 4.999 . . . . 2.5099999999999998 111.931 -179.956 . . . . . . . . 3 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 1.622 ' HB3' ' SG ' ' A' ' 10' ' ' CYS . 21.3 t -88.37 -13.73 39.88 Favored 'General case' 2 C--N 0.917 -18.233 3 O-C-N 86.289 -22.757 . . . . 1.75 111.133 -179.992 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 1.468 ' HZ1' ' CE ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -101.22 33.6 2.83 Favored 'General case' 1 C--N 1.231 -4.575 0 O-C-N 119.44 -2.037 . . . . 2.8300000000000001 109.456 179.976 . . . . . . . . 4 4 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 1.13 HD13 ' CG ' ' A' ' 12' ' ' LEU . 2.4 pp -53.49 -17.75 2.25 Favored 'General case' 0 C--N 1.26 -3.321 0 N-CA-C 109.408 -0.59 . . . . 1.53 109.408 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 1.56 ' HG3' ' CB ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.65 167.21 1.92 Allowed Pre-proline 0 C--N 1.292 -1.907 0 CA-C-N 115.812 -0.631 . . . . 2.4199999999999999 109.839 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.702 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -75.21 55.79 4.17 Favored 'Trans proline' 1 C--O 0.919 -15.445 0 CA-C-O 126.609 2.67 . . . . 1.3899999999999999 111.895 179.947 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 1.057 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . . . 45.92 131.52 0.0 OUTLIER 'General case' 2 C--N 1.043 -12.72 2 O-C-N 106.777 -9.952 . . . . 1.4399999999999999 110.225 179.998 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.457 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -134.77 -93.65 0.46 Allowed Glycine 2 C--O 0.734 -31.134 0 CA-C-O 123.841 1.8 . . . . 1.5 112.165 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 1.071 HG23 ' CB ' ' A' ' 17' ' ' THR . 35.6 m -147.48 -171.38 3.78 Favored 'General case' 2 C--N 1.023 -13.617 3 O-C-N 98.627 -14.455 . . . . 1.5 111.108 179.943 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 1.367 ' HG1' ' CB ' ' A' ' 18' ' ' THR . 0.7 OUTLIER -102.05 109.35 21.04 Favored 'General case' 2 C--O 0.849 -19.976 0 CA-C-O 128.352 3.929 . . . . 1.5700000000000001 111.005 -179.942 . . . . . . . . 4 4 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.843 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 96.6 m 53.67 65.46 1.51 Allowed 'General case' 1 C--N 0.994 -14.854 3 O-C-N 100.752 -13.718 . . . . 1.02 108.252 179.96 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 1.55 ' HZ3' ' CE3' ' A' ' 20' ' ' TRP . 2.8 t-105 -122.69 -62.12 1.39 Allowed 'General case' 1 C--O 1.006 -11.736 0 CA-C-O 118.052 -0.975 . . . . 4.0800000000000001 109.354 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 1.511 ' HZ2' ' CE ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 73.88 127.09 0.04 OUTLIER 'General case' 1 C--N 1.213 -5.34 0 CA-C-N 123.93 3.059 . . . . 3.48 113.478 179.965 . . . . . . . . 4 4 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 1.52 ' HG1' ' CB ' ' A' ' 22' ' ' THR 0.448 13.0 p -93.15 -133.18 0.15 Allowed 'General case' 2 C--O 0.503 -38.215 0 N-CA-C 120.17 3.396 . . . . 1.9299999999999999 120.17 -179.978 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 1.509 ' HG ' ' CB ' ' A' ' 23' ' ' SER 0.398 0.5 OUTLIER -128.04 1.42 5.9 Favored 'General case' 4 C--N 0.826 -22.17 4 O-C-N 90.638 -20.039 . . . . 2.8799999999999999 116.178 -179.907 . . . . . . . . 6 4 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 1.647 HD11 ' CG ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -143.28 -51.42 0.35 Allowed 'General case' 3 C--N 0.955 -16.556 1 O-C-N 110.983 -7.323 . . . . 3.3500000000000001 112.885 -179.915 . . . . . . . . 5 4 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 1.224 ' O ' ' CA ' ' A' ' 26' ' ' SER . 1.2 m -103.95 -42.08 5.68 Favored 'General case' 2 C--O 0.52 -37.34 2 CA-C-O 145.357 12.027 . . . . 2.0099999999999998 111.893 179.997 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 1.559 ' HG ' ' CB ' ' A' ' 26' ' ' SER . 3.3 m 94.49 91.61 0.01 OUTLIER 'General case' 1 C--N 0.818 -22.523 3 O-C-N 58.904 -39.873 . . . . 1.8600000000000001 109.944 -179.934 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 1.624 ' HD2' ' CE1' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -76.47 -16.53 59.65 Favored 'General case' 2 C--O 0.534 -36.563 1 CA-C-O 136.705 7.907 . . . . 2.6800000000000002 109.846 -179.969 . . . . . . . . 5 4 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 1.432 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -18.94 43.4 0.0 OUTLIER 'General case' 2 C--N 0.89 -19.407 3 O-C-N 70.976 -32.327 . . . . 2.2799999999999998 111.023 -179.931 . . . . . . . . 5 4 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.875 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER 176.68 -169.41 0.06 Allowed 'General case' 1 C--O 1.149 -4.207 0 C-N-CA 123.542 0.737 . . . . 1.1699999999999999 109.057 179.993 . . . . . . . . 4 4 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 1.654 HG23 ' CB ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -146.79 -42.57 0.19 Allowed 'General case' 1 C--O 1.142 -4.56 0 CA-C-O 122.073 0.939 . . . . 2.0800000000000001 110.805 179.949 . . . . . . . . 4 4 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' HA2' ' CD ' ' A' ' 11' ' ' LYS . . . 133.07 113.29 1.42 Allowed Glycine 1 C--N 1.239 -4.821 0 O-C-N 120.276 -1.515 . . . . 0.66000000000000003 111.048 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 1.546 ' HG3' ' CB ' ' A' ' 32' ' ' LYS . 4.5 tmtt? 74.93 36.11 0.57 Allowed 'General case' 2 C--O 0.378 -44.769 1 CA-C-O 154.876 16.56 . . . . 4.2400000000000002 111.975 179.93 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 1.576 ' HG ' ' CB ' ' A' ' 33' ' ' SER . 0.1 OUTLIER 165.68 49.89 0.0 OUTLIER 'General case' 3 C--N 0.811 -22.823 3 O-C-N 38.205 -52.809 . . . . 1.8999999999999999 112.933 179.968 . . . . . . . . 5 4 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 1.19 ' SG ' ' CA ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -137.03 -164.9 1.66 Allowed 'General case' 2 C--N 1.078 -11.238 1 O-C-N 109.574 -8.204 . . . . 1.1899999999999999 108.228 179.976 . . . . . . . . 5 4 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.603 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 11.2 t0 173.16 44.65 0.0 OUTLIER 'General case' 0 C--O 1.156 -3.866 0 CA-C-O 122.878 1.323 . . . . 2.3399999999999999 109.883 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 1.1 m -131.39 148.19 69.14 Favored Pre-proline 1 C--N 1.229 -4.634 0 O-C-N 120.387 -1.446 . . . . 0.66000000000000003 108.429 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.03 138.47 23.01 Favored 'Trans proline' 0 C--O 1.184 -2.193 0 C-N-CA 121.489 1.459 . . . . 0.90000000000000002 111.847 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 1.458 HD11 ' CG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -115.82 60.17 0.72 Allowed 'General case' 0 C--O 1.189 -2.086 0 N-CA-C 108.814 -0.81 . . . . 1.73 108.814 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 1.483 ' HD2' ' CD1' ' A' ' 39' ' ' TYR 0.262 30.5 t80 -161.79 146.82 10.19 Favored Pre-proline 2 C--O 0.963 -14.021 0 N-CA-C 115.269 1.581 . . . . 4.4299999999999997 115.269 -179.996 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 1.23 ' HD2' ' CD1' ' A' ' 39' ' ' TYR 0.435 18.9 Cg_endo -81.92 114.05 2.54 Favored 'Trans proline' 4 C--O 0.464 -38.18 1 CA-C-O 131.301 4.625 . . . . 2.98 121.217 -179.987 . . . . . . . . 5 3 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 1.386 ' H ' ' CA ' ' A' ' 41' ' ' GLY . . . . . . . . 4 C--O 0.296 -58.517 5 O-C-N 79.263 -27.148 . . . . 3.8399999999999999 154.37 179.932 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 36.8 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.458 ' H ' ' CB ' ' A' ' 10' ' ' CYS . 25.7 m -70.36 -52.76 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.21 -108.46 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 1.007 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.91 4.36 4.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.781 ' C ' ' HB3' ' A' ' 11' ' ' LYS . 5.9 p 44.91 -62.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 108.335 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 1.007 ' N ' ' O ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -37.74 104.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 1.7 ptt85 84.16 -42.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.391 1.057 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 6' ' ' CYS . 2.3 mt-30 -77.84 -83.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 1.033 ' O ' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -108.83 64.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.781 ' HB3' ' C ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -166.27 92.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 pp -108.42 1.28 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.745 ' CD ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.35 160.13 0.32 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.05 47.81 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . 50.65 99.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.544 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -106.76 -101.81 2.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 18' ' ' THR . 13.1 m -156.93 -179.24 8.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' THR . 3.2 m -83.69 127.71 33.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 0.0 110.356 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.597 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 93.6 m 40.86 57.33 2.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.537 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -106.36 -70.92 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.573 1.171 . . . . 0.0 108.0 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 69.74 130.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 23' ' ' SER . 33.1 p -91.03 -73.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 22' ' ' THR . 1.2 m 155.18 40.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.74 -42.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.698 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -115.95 -63.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.404 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.698 ' CB ' ' O ' ' A' ' 25' ' ' THR . 5.0 t 105.07 109.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.655 ' O ' HD22 ' A' ' 38' ' ' LEU . 6.3 m-70 -80.22 -58.08 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.586 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.87 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 2.1 m-85 20.91 52.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.87 ' SG ' ' O ' ' A' ' 28' ' ' TYR . 16.6 m 165.24 -123.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 108.323 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.613 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER 157.7 -18.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.742 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 92.87 103.44 1.56 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.753 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.9 tptt 138.51 -96.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -113.37 82.25 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.474 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 17.4 m -129.31 -172.57 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -174.78 35.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 9.5 m -122.16 136.8 26.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 108.23 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.587 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -74.99 117.58 4.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.033 HD11 ' O ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -96.02 71.74 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.509 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 2.9 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.539 ' HG1' ' CB ' ' A' ' 10' ' ' CYS . 24.5 m -56.53 -123.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.37 -107.55 3.04 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.836 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.07 5.23 4.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.943 ' SG ' HD11 ' A' ' 38' ' ' LEU . 13.2 p 57.72 -48.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 108.253 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.879 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.3 m -45.74 100.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.077 . . . . 0.0 108.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.552 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER 88.37 -23.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.599 1.187 . . . . 0.0 110.263 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 6' ' ' CYS . 7.5 mm-40 -91.4 -91.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.749 ' H ' ' HA ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -113.33 64.35 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.879 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -149.63 28.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 13' ' ' LYS . 2.9 pp -55.58 -11.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 1.116 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.03 160.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.98 36.79 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.433 1.754 . . . . 0.0 110.997 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HB1' ' OG1' ' A' ' 30' ' ' THR . . . 60.53 133.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.655 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -144.55 -125.44 1.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 29' ' ' CYS . 18.9 m -122.37 165.6 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 110.44 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.1 m -82.63 138.19 34.25 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.566 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 4.0 m 36.56 54.99 1.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.481 1.113 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.483 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 15.2 t-105 -113.6 -64.9 1.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.546 1.154 . . . . 0.0 107.948 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 2.5 tptm 71.92 117.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.614 ' O ' ' CB ' ' A' ' 23' ' ' SER . 44.6 p -75.73 -15.12 60.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.614 ' CB ' ' O ' ' A' ' 22' ' ' THR . 2.3 t 94.83 -10.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.944 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -115.95 -71.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.616 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -90.5 -47.42 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.616 ' CB ' ' O ' ' A' ' 25' ' ' THR . 2.4 m 95.69 133.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.771 ' O ' ' N ' ' A' ' 29' ' ' CYS . 63.3 m170 -109.31 -51.76 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.617 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 1.6 m-85 24.05 34.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.913 ' SG ' HD11 ' A' ' 38' ' ' LEU . 1.3 p 160.23 -172.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.535 ' OG1' ' HB1' ' A' ' 15' ' ' ALA . 8.9 t -137.7 -42.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.548 ' N ' ' HD2' ' A' ' 11' ' ' LYS . . . 145.52 115.97 0.99 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.446 1.091 . . . . 0.0 111.015 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.637 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER 76.91 -75.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.33 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.01 75.6 10.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.644 ' HB2' ' CB ' ' A' ' 29' ' ' CYS . 13.8 p -147.87 -161.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.222 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 168.85 75.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.506 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 170.89 136.01 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.617 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -74.93 147.01 33.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.462 1.77 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.116 HD22 ' CD ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -104.41 80.81 1.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.949 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 2.0 t . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.823 HG21 ' HB3' ' A' ' 9' ' ' GLN . 23.2 m -143.41 -126.0 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.89 -131.19 4.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.728 ' O ' ' C ' ' A' ' 6' ' ' CYS . 18.5 Cg_endo -74.95 58.37 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.574 1.829 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.788 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -4.73 104.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 108.372 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.814 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER 159.58 44.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 108.299 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.594 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 4.0 tpm_? 149.55 -13.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.174 . . . . 0.0 110.298 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.823 ' HB3' HG21 ' A' ' 3' ' ' THR . 5.5 mm-40 -140.09 -72.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.337 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.949 ' HG ' ' N ' ' A' ' 2' ' ' THR . 14.2 t -54.38 -48.69 71.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 108.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.814 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -76.93 53.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.93 -9.36 4.12 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.816 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.37 162.85 16.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.0 39.53 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 60.95 124.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.207 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.11 -95.27 0.68 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.673 1.233 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.552 ' O ' ' N ' ' A' ' 29' ' ' CYS . 81.4 m -152.65 151.74 30.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 0.772 . . . . 0.0 110.453 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.531 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -73.06 133.84 44.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 0.0 110.399 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.706 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 4.5 m 32.47 57.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.497 ' CB ' ' HB ' ' A' ' 17' ' ' THR . 24.3 t-105 -115.8 -64.08 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 108.045 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 11.5 tptp 73.87 126.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.426 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 35.7 p -116.9 171.52 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.72 0.6 33.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tp -109.28 -45.64 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 27' ' ' HIS . 26.3 m -156.6 118.02 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.629 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 5.1 t -49.23 87.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.539 ' N ' ' O ' ' A' ' 25' ' ' THR . 32.3 m170 -91.8 98.83 11.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.545 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.841 ' H ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -108.82 25.77 11.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.091 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.769 ' SG ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -165.21 -154.7 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.55 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 11.5 m -155.81 -35.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 110.389 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 32' ' ' LYS . . . 135.24 119.96 1.98 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.429 1.081 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.757 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 57.78 122.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.553 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 85.14 43.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.667 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -154.97 163.42 40.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.575 1.172 . . . . 0.0 108.244 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -160.88 34.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.788 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -103.51 147.09 33.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 108.316 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -74.98 127.66 10.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.841 HD23 ' H ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -107.11 35.27 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 26' ' ' SER . 41.1 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.857 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 73.5 p . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.589 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 21.0 m -40.38 -65.15 0.44 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.56 1.162 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.431 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -135.76 -126.33 2.57 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.449 1.093 . . . . 0.0 111.069 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.755 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.6 Cg_endo -74.97 13.62 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 3.8 p 60.74 -50.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -48.73 122.61 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.401 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.608 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 6.8 tpt180 68.35 2.16 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' CYS . 19.6 mt-30 -128.49 -91.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.374 1.046 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.857 ' HG ' ' N ' ' A' ' 2' ' ' THR . 8.4 m -68.41 -25.95 65.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.07 . . . . 0.0 108.287 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.929 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -81.17 37.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' H ' ' C ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -56.79 -3.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 1.031 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -91.01 158.16 42.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 54.46 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 30' ' ' THR . . . 65.17 175.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 17' ' ' THR . . . 159.37 44.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' CYS . 3.2 m 82.82 176.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.483 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -119.18 146.19 45.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.651 ' HA ' ' CD1' ' A' ' 28' ' ' TYR . 1.6 m 36.16 62.66 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.277 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.444 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 6.4 t90 -129.49 -62.51 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.499 ' HA ' ' N ' ' A' ' 27' ' ' HIS . 2.6 mtpm? 72.51 122.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.426 HG21 ' CE1' ' A' ' 27' ' ' HIS . 14.2 p -96.34 173.55 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.435 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.25 12.41 31.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.886 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.73 -48.74 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.829 HG22 ' N ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -123.48 -83.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.48 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.829 ' N ' HG22 ' A' ' 25' ' ' THR . 1.0 OUTLIER 151.68 92.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.993 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.765 ' O ' ' HD1' ' A' ' 28' ' ' TYR . 48.3 m170 -87.66 166.97 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.93 ' N ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 166.91 25.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.932 ' SG ' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 175.0 -165.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 108.275 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.589 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 3.5 m -127.14 -41.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.397 1.06 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.697 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 129.72 110.21 1.42 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.697 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER 145.12 -100.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 0.0 109.173 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.1 p -125.99 70.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 7.9 p -94.91 -173.68 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 108.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -149.15 34.78 0.73 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.488 1.118 . . . . 0.0 109.349 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 1.7 m -139.62 112.41 7.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.618 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.3 Cg_endo -74.99 127.57 10.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.031 HD22 ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -92.28 110.18 21.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.215 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.596 ' CD1' ' HB3' ' A' ' 26' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.664 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.913 ' H ' ' HB2' ' A' ' 10' ' ' CYS . 1.5 m -118.58 -88.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.638 1.211 . . . . 0.0 110.4 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.545 ' N ' HG22 ' A' ' 3' ' ' THR . . . -128.75 -100.06 0.97 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.549 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -75.03 -10.46 21.17 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.594 1.839 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.91 ' CA ' ' HB3' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 73.11 -55.55 0.68 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.067 . . . . 0.0 108.272 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.779 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -53.04 68.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.334 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.817 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER 135.73 -18.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.704 ' O ' ' N ' ' A' ' 12' ' ' LEU . 8.1 mm-40 -138.72 -87.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.913 ' HB2' ' H ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -41.74 -26.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.372 1.045 . . . . 0.0 108.282 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.857 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -95.14 31.98 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.704 ' N ' ' O ' ' A' ' 9' ' ' GLN . 2.6 pp -41.67 -32.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.986 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.47 163.99 0.69 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.534 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 14.0 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 73.05 139.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' HA3' ' ND1' ' A' ' 27' ' ' HIS . . . -132.0 -60.72 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.51 ' HB ' ' CB ' ' A' ' 20' ' ' TRP . 96.8 m -158.5 156.18 29.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.481 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.3 m -74.39 121.77 21.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.178 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.736 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.3 m 35.45 61.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 1.2 t-105 -115.59 -60.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 89.43 125.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.377 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.762 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 18.2 p -80.46 18.03 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.432 ' HB3' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 70.64 2.53 4.15 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 23' ' ' SER . 0.0 OUTLIER -157.74 -82.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -48.98 -44.6 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.369 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.597 ' HB2' ' N ' ' A' ' 39' ' ' TYR . 2.6 m 86.0 89.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.036 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.762 ' CG ' ' CG2' ' A' ' 22' ' ' THR . 17.1 m170 -87.97 10.23 19.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.566 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.736 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -50.71 83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.06 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.802 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 163.66 -158.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 108.297 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -156.08 -41.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 110.475 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.775 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 109.43 108.25 3.16 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.775 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 122.61 -92.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 0.7 . . . . 0.0 109.379 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.526 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.5 m -108.99 85.64 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.665 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 12.5 m -143.33 -151.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.365 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p30 164.64 41.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 33.2 m -114.41 149.12 41.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.5 Cg_endo -75.01 139.54 24.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.986 HD22 ' HD3' ' A' ' 13' ' ' LYS . 1.4 mp -131.18 72.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.597 ' N ' ' HB2' ' A' ' 26' ' ' SER . 33.1 t80 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.804 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.672 HG21 ' HG2' ' A' ' 9' ' ' GLN . 26.9 m -50.18 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.621 1.201 . . . . 0.0 110.37 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -127.81 -134.15 3.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.829 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.08 34.01 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.867 ' CB ' HD21 ' A' ' 38' ' ' LEU . 26.3 p 56.85 -56.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.829 ' N ' ' O ' ' A' ' 5' ' ' PRO . 45.6 m -52.46 97.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 108.279 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.744 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER 110.94 6.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.672 ' HG2' HG21 ' A' ' 3' ' ' THR . 3.3 mp0 -157.22 -86.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.804 ' HG ' ' N ' ' A' ' 2' ' ' THR . 5.0 m -58.92 -23.88 61.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.27 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 1.091 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -79.25 6.86 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' LYS . 3.0 pp -38.72 -32.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.626 ' NZ ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -62.95 167.68 5.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 0.0 109.369 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.607 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -74.97 42.26 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.429 1.752 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 57.41 148.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.621 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -140.26 -106.64 0.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 20' ' ' TRP . 1.2 m -132.49 161.06 34.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 0.825 . . . . 0.0 110.464 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.604 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -68.11 119.01 12.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.838 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 25.75 66.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.4 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.592 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 28.0 t-105 -178.29 91.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.987 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.557 ' C ' ' OG1' ' A' ' 22' ' ' THR . 0.6 OUTLIER -173.05 -113.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.199 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.557 ' OG1' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER 51.87 -175.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.64 3.83 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -151.6 -37.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.173 . . . . 0.0 109.21 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.64 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -159.85 -45.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 0.0 110.382 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.4 m 99.18 89.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.621 ' CD2' ' HA3' ' A' ' 16' ' ' GLY . 4.2 m80 -94.63 -51.7 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.838 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER 20.57 62.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.549 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 179.85 -148.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 108.296 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.561 ' CG2' ' O ' ' A' ' 30' ' ' THR . 0.9 OUTLIER -161.97 11.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.612 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 55.63 121.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.422 1.076 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.67 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 77.64 -69.91 0.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 86.73 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.945 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.569 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 18.3 p -157.96 -164.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER 179.92 69.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.831 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 1.8 m -169.98 154.24 5.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 108.27 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.95 ' C ' HD23 ' A' ' 38' ' ' LEU . 18.3 Cg_endo -74.97 136.7 20.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 111.081 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.147 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -111.53 48.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.579 ' HA ' ' CB ' ' A' ' 26' ' ' SER . 4.4 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.676 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 1.1 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.908 ' H ' ' HA ' ' A' ' 10' ' ' CYS . 84.8 m -115.14 -80.74 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.554 1.159 . . . . 0.0 110.447 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.857 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . -112.29 -123.08 4.16 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -74.98 -20.51 16.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.4 1.737 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.741 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 93.97 150.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.272 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.966 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 94.33 31.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.354 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.62 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 48.7 tpt85 173.34 -10.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.681 ' HB3' HG21 ' A' ' 3' ' ' THR . 1.8 mt-30 -173.77 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.971 ' O ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -77.38 -4.61 46.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 108.306 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.62 ' HD2' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -129.6 25.52 5.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.775 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -36.83 -31.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.787 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -37.68 156.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.309 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.07 53.92 3.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.57 1.827 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . 61.33 136.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.363 1.04 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.411 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -176.54 85.08 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.676 HG22 ' H ' ' A' ' 18' ' ' THR . 18.9 m 48.88 -179.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.676 ' H ' HG22 ' A' ' 17' ' ' THR . 4.7 t -117.57 12.25 14.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.682 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER 171.35 66.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.553 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 6.8 t-105 -119.77 -67.27 0.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HA ' ' N ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 74.59 118.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.352 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.3 p -111.11 -176.83 3.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.355 1.035 . . . . 0.0 110.351 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.76 -10.02 49.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.94 -33.56 8.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.66 ' HB ' ' CE1' ' A' ' 27' ' ' HIS . 4.2 m -161.93 120.05 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 0.0 110.436 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -56.19 81.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.66 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 3.0 m-70 -73.94 86.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.682 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -127.15 43.99 3.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.076 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.861 ' HB2' HD11 ' A' ' 38' ' ' LEU . 1.4 m 172.69 167.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.527 HG23 ' SG ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -124.66 -57.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 7' ' ' CYS . . . 159.9 109.38 0.25 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.966 ' N ' ' O ' ' A' ' 7' ' ' CYS . 33.3 mmtt 62.8 125.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 3.2 t 91.82 20.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.934 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.592 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 2.4 m -130.46 176.64 7.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 108.254 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 5' ' ' PRO . 14.7 t70 -170.37 23.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -95.79 143.59 26.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.5 Cg_endo -74.95 131.46 14.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.547 1.814 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.971 HD13 ' O ' ' A' ' 10' ' ' CYS . 3.7 mp -108.06 55.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.417 ' N ' ' CB ' ' A' ' 26' ' ' SER . 2.1 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.642 HG22 ' HB3' ' A' ' 9' ' ' GLN . 23.8 m -59.18 -102.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.461 ' N ' HG22 ' A' ' 3' ' ' THR . . . -126.93 -117.0 2.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.737 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.0 10.82 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.933 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 4.7 p 60.98 -56.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.806 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -49.87 72.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 108.238 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.815 ' N ' ' O ' ' A' ' 6' ' ' CYS . 9.5 tpt180 106.55 -11.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.895 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -150.5 77.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.242 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.895 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER 130.75 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 108.333 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.841 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -91.99 26.17 2.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.369 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' C ' HD12 ' A' ' 12' ' ' LEU . 1.6 pp -37.03 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.945 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -41.67 163.58 0.11 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.05 44.16 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.465 1.771 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 60.1 115.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -114.38 -118.06 3.3 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.603 ' HB ' ' CB ' ' A' ' 20' ' ' TRP . 3.7 m -144.0 129.25 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.46 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.1 m -34.88 129.8 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.607 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 2.9 m 27.18 56.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 108.2 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.603 ' CB ' ' HB ' ' A' ' 17' ' ' THR . 60.8 t-105 -97.79 -61.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.049 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' HA ' ' H ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 75.2 121.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.362 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.478 HG22 ' ND1' ' A' ' 27' ' ' HIS . 27.5 p -73.76 -144.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.1 19.19 19.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.962 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 25' ' ' THR . 7.8 tt -176.82 -67.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.757 HG22 ' N ' ' A' ' 26' ' ' SER . 1.3 m -52.55 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.757 ' N ' HG22 ' A' ' 25' ' ' THR . 25.7 t 150.98 97.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.613 1.195 . . . . 0.0 109.967 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.602 ' O ' ' N ' ' A' ' 29' ' ' CYS . 19.8 m170 -92.22 32.5 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.593 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.607 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -63.87 50.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 111.008 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.837 ' HB3' HD21 ' A' ' 38' ' ' LEU . 17.9 t 176.31 171.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 108.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.637 HG23 ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -127.49 -44.74 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 110.352 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.501 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 131.8 109.41 1.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.806 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER 67.97 112.69 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.439 0.729 . . . . 0.0 109.219 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.6 t 90.06 45.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.1 m -138.76 -164.68 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 108.251 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 166.15 40.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -118.84 147.59 42.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 108.342 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.04 124.36 8.54 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.457 1.767 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.945 HD22 ' HD3' ' A' ' 13' ' ' LYS . 2.1 mp -96.94 57.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.433 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 111.043 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.602 ' HB ' ' CB ' ' A' ' 10' ' ' CYS . 52.5 m -144.2 -100.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.75 -100.42 0.5 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.515 1.135 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.679 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.96 -5.05 16.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.707 ' HA ' ' N ' ' A' ' 10' ' ' CYS . 6.3 p 62.67 -55.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 108.26 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.743 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -50.19 103.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 108.267 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.735 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 80.13 5.38 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 6' ' ' CYS . 4.9 mt-30 -136.48 -101.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.707 ' N ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -58.0 -17.08 15.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.34 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.857 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -98.5 72.99 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.88 10.5 15.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.641 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -100.45 -177.45 0.57 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.03 -167.07 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.588 1.836 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.568 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . -82.26 118.6 23.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.667 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -111.17 -97.17 2.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.544 1.153 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 18' ' ' THR . 29.0 m -162.16 175.22 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.566 ' N ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER -82.65 118.11 23.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 110.384 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.575 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 57.9 m 38.98 63.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.592 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 2.7 t90 -113.12 -76.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 107.975 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.652 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 89.57 121.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.739 ' CG2' ' CE1' ' A' ' 27' ' ' HIS . 73.0 p -75.94 -114.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.75 16.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.61 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -152.2 -71.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.649 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.0 m -75.23 -56.82 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.338 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.9 t 100.12 107.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.739 ' CE1' ' CG2' ' A' ' 22' ' ' THR . 58.8 m170 -67.8 -87.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER 44.08 37.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 8.2 t -179.26 -137.76 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 0.9 OUTLIER 166.93 -27.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.445 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.557 ' HA2' ' HG2' ' A' ' 11' ' ' LYS . . . 110.23 107.92 3.08 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.51 1.132 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.743 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 68.71 112.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 90.06 44.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.156 . . . . 0.0 110.054 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 20.8 m -135.89 -158.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.175 . . . . 0.0 108.346 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 2.6 p30 155.84 42.94 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.531 1.144 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -130.87 149.48 73.8 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 108.273 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.6 Cg_endo -74.98 131.53 14.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.811 . . . . 0.0 111.059 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.794 ' CD1' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -114.57 50.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.561 HG22 ' OE1' ' A' ' 9' ' ' GLN . 91.9 m -58.33 -104.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.489 ' N ' ' OE1' ' A' ' 9' ' ' GLN . . . -124.64 -117.99 2.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.917 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.02 13.9 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.844 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 20.0 p 54.79 -48.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.917 ' N ' ' O ' ' A' ' 5' ' ' PRO . 7.3 m -48.22 118.15 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.658 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 78.78 -24.21 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.561 ' OE1' HG22 ' A' ' 3' ' ' THR . 45.9 mt-30 -93.39 -86.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.911 ' O ' HD11 ' A' ' 38' ' ' LEU . 6.1 p -126.86 85.4 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.844 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -172.49 29.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -56.14 -11.56 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.8 ' HZ3' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -40.14 143.66 0.61 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.433 1.083 . . . . 0.0 109.381 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.501 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 45.16 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.551 1.816 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 30' ' ' THR . . . 71.29 124.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.526 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -130.37 -74.98 0.14 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.574 1.171 . . . . 0.0 111.014 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.739 HG22 ' H ' ' A' ' 18' ' ' THR . 5.1 m -158.22 -163.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 0.804 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.739 ' H ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -129.82 126.29 37.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.624 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 1.5 m 38.63 66.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 0.0 108.349 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.654 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 11.8 t-105 -139.2 -73.64 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 108.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.654 ' CG ' ' O ' ' A' ' 20' ' ' TRP . 0.0 OUTLIER 99.71 136.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.579 ' O ' ' CB ' ' A' ' 23' ' ' SER . 22.1 p -80.79 -69.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 22' ' ' THR . 0.7 OUTLIER 153.29 -18.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.586 1.178 . . . . 0.0 109.929 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -118.1 -61.37 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.8 ' CG2' ' HZ3' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -84.28 -71.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.382 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.754 ' CB ' ' O ' ' A' ' 25' ' ' THR . 60.1 m 123.47 114.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.958 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' O ' HD22 ' A' ' 38' ' ' LEU . 50.2 m170 -92.32 -95.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.718 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER 64.59 6.47 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.822 ' SG ' ' CD2' ' A' ' 38' ' ' LEU . 26.0 p 176.18 -158.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.514 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 56.0 p -138.82 -63.3 0.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.858 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . 170.52 115.56 0.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 53.93 140.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.24 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 7.3 t 85.87 -35.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 29' ' ' CYS . 15.1 p -57.41 -159.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 108.32 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 t0 179.03 66.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -178.17 127.74 0.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 108.259 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.718 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -75.01 154.84 42.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.911 HD11 ' O ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -99.21 64.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.9 t80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.62 ' N ' ' HB3' ' A' ' 10' ' ' CYS . 1.5 m . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.585 0.231 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.87 HG21 ' HB3' ' A' ' 9' ' ' GLN . 98.9 m -123.41 -108.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.701 ' N ' ' SG ' ' A' ' 10' ' ' CYS . . . -130.18 -96.47 0.76 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.474 ' O ' ' O ' ' A' ' 34' ' ' CYS . 18.3 Cg_endo -75.11 6.42 3.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.81 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 17.5 p 47.85 -134.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 108.308 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.774 ' C ' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER 36.8 52.64 1.04 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.354 1.034 . . . . 0.0 108.347 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.677 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 14.3 tpp180 142.4 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.87 ' HB3' HG21 ' A' ' 3' ' ' THR . 6.4 mt-30 -108.65 -81.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.723 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 1.8 m -49.68 -40.36 39.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 108.243 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.696 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -77.52 38.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.924 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -68.76 -9.14 49.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.696 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.12 -174.2 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.0 59.71 5.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.98 96.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.583 ' HA3' ' HZ3' ' A' ' 13' ' ' LYS . . . -70.51 -153.83 1.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.421 1.076 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.466 ' OG1' ' HD2' ' A' ' 27' ' ' HIS . 34.8 m -121.77 -125.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.409 0.711 . . . . 0.0 110.352 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -123.61 103.09 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.369 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 1.03 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 86.7 m 29.88 80.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.192 . . . . 0.0 108.347 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.7 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 5.1 m95 -134.19 -60.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.009 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 65.51 135.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.497 HG23 ' ND1' ' A' ' 27' ' ' HIS . 27.9 p -100.33 -127.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.423 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.419 ' N ' ' OG1' ' A' ' 22' ' ' THR . 5.5 m -106.19 -6.79 18.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.48 -76.2 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -75.41 103.67 5.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -64.03 70.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.7 ' CE1' ' HB3' ' A' ' 20' ' ' TRP . 18.2 p-80 -61.06 68.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.579 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 1.03 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -105.87 18.28 22.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.978 ' SG ' HD11 ' A' ' 38' ' ' LEU . 11.6 m -152.16 -177.71 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 108.26 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.486 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 5.0 t -136.78 -35.1 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.505 ' C ' ' SG ' ' A' ' 7' ' ' CYS . . . 135.41 115.63 1.51 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.774 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 61.47 114.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.394 0.702 . . . . 0.0 109.353 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.629 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 3.4 t 97.87 29.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.583 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.5 m -139.42 169.68 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -166.24 30.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.652 ' CB ' ' HB3' ' A' ' 28' ' ' TYR . 92.0 m -100.31 165.48 14.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 108.371 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.623 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -75.06 149.66 36.76 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.978 HD11 ' SG ' ' A' ' 29' ' ' CYS . 1.1 mt -142.75 37.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.379 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.06 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.961 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 1.1 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.704 ' HB ' ' O ' ' A' ' 9' ' ' GLN . 1.8 m -149.09 -85.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.524 ' N ' ' HB2' ' A' ' 10' ' ' CYS . . . -99.3 -139.07 10.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' O ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo -74.95 13.85 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.959 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER 50.87 105.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 108.292 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.831 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 1.6 m 141.85 43.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 108.265 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 8.7 tpp180 144.37 -10.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.704 ' O ' ' HB ' ' A' ' 3' ' ' THR . 3.7 mt-30 -173.66 56.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.961 ' HG ' ' N ' ' A' ' 2' ' ' THR . 0.1 OUTLIER 170.31 -39.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 108.294 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.684 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -87.88 15.17 7.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.51 1.131 . . . . 0.0 109.37 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.517 ' O ' ' O ' ' A' ' 13' ' ' LYS . 4.5 pp -35.46 -35.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.612 1.195 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.655 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.44 177.46 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.03 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.455 1.766 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.87 ' HB1' HG23 ' A' ' 30' ' ' THR . . . -35.23 136.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.546 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -127.43 -86.04 0.53 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.568 HG22 ' H ' ' A' ' 18' ' ' THR . 6.0 m -157.41 -142.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.568 ' H ' HG22 ' A' ' 17' ' ' THR . 0.8 OUTLIER -119.74 123.9 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.8 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.3 m 33.41 77.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.594 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -134.39 -76.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.007 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.612 ' O ' ' HB ' ' A' ' 22' ' ' THR . 0.0 OUTLIER 93.06 125.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.612 ' HB ' ' O ' ' A' ' 21' ' ' LYS . 6.9 t 173.98 -168.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.489 ' N ' ' OG1' ' A' ' 22' ' ' THR . 0.5 OUTLIER 51.09 19.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 0.8 OUTLIER 78.07 -1.34 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 27' ' ' HIS . 27.6 m -125.64 111.52 15.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.675 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 4.0 m -51.75 78.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.649 ' N ' ' O ' ' A' ' 25' ' ' THR . 3.1 m-70 -40.69 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.587 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.8 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.5 m-85 29.51 36.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.029 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER 170.95 -167.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 108.39 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.87 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -159.11 -66.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.478 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.632 ' O ' ' CD ' ' A' ' 32' ' ' LYS . . . 167.58 116.39 0.36 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.714 ' H ' ' CA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 43.97 24.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.457 ' N ' ' C ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -153.69 51.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 1.029 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 20.3 p -165.31 -143.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 108.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 153.86 39.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 109.235 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.959 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -128.51 161.22 58.29 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.28 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.539 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 17.9 Cg_endo -75.05 145.87 31.78 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -124.13 63.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 1.057 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 1.1 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.799 ' N ' ' HB2' ' A' ' 10' ' ' CYS . 1.2 m -170.78 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.552 1.157 . . . . 0.0 110.485 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.487 ' N ' HG22 ' A' ' 3' ' ' THR . . . -136.01 -106.27 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.642 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.01 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.939 ' HA ' ' HB3' ' A' ' 10' ' ' CYS . 1.7 p 64.95 -53.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.821 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -51.02 75.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 108.292 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.759 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER 109.33 -15.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.284 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.942 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 12.4 mt-30 -148.06 72.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.261 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 1.057 ' HG ' ' N ' ' A' ' 2' ' ' THR . 0.0 OUTLIER 132.66 -12.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.213 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.821 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -107.43 22.97 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HG ' ' CE ' ' A' ' 13' ' ' LYS . 3.0 pp -36.13 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.737 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.76 156.1 0.46 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.686 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.01 31.26 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.432 1.753 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 84.55 151.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' THR . . . 174.95 86.85 0.06 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.442 1.089 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.798 HG22 ' H ' ' A' ' 18' ' ' THR . 21.1 m 45.19 -172.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 110.432 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.798 ' H ' HG22 ' A' ' 17' ' ' THR . 5.8 t -109.87 7.74 24.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.475 1.109 . . . . 0.0 110.445 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.786 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.4 m 173.5 77.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.346 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.631 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -118.7 -68.75 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.047 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.573 ' N ' ' HD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 79.63 124.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.451 ' CG2' ' CD2' ' A' ' 27' ' ' HIS . 52.2 p -84.43 -119.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.79 15.14 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.081 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.81 -71.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.8 OUTLIER -56.55 -51.92 66.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 10.1 m 83.56 92.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.087 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.733 ' C ' HD23 ' A' ' 38' ' ' LEU . 6.6 m-70 -65.09 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.571 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.786 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER 66.3 48.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.964 ' CB ' HD21 ' A' ' 38' ' ' LEU . 1.4 t 179.62 167.21 1.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 108.248 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.615 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 22.5 m -132.59 -58.38 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.635 1.21 . . . . 0.0 110.44 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.716 ' O ' ' HB3' ' A' ' 32' ' ' LYS . . . 152.89 111.68 0.47 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.615 1.197 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.716 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 82.65 -69.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.64 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 30.0 t -67.3 -98.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 110.069 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.761 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 27.2 p 23.2 -130.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 108.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.761 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 23.2 t70 124.64 47.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -138.16 159.23 69.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 108.335 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.1 145.31 30.97 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.964 HD21 ' CB ' ' A' ' 29' ' ' CYS . 2.1 mp -125.3 48.99 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.508 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 1.022 HG21 HD23 ' A' ' 12' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.9 ' H ' ' HB2' ' A' ' 10' ' ' CYS . 7.6 m -152.27 -82.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.508 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.02 -88.9 0.08 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.538 1.148 . . . . 0.0 111.033 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.528 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo -74.97 -18.49 18.78 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.882 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.5 OUTLIER 73.73 -55.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 108.329 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -55.1 74.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 108.332 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.767 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 6.7 tpm_? 123.47 -16.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.598 ' HB3' HG21 ' A' ' 3' ' ' THR . 27.2 mm-40 -134.15 -92.16 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.351 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.9 ' HB2' ' H ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -44.09 -21.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 108.291 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.844 ' HZ2' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -99.68 43.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.022 HD23 HG21 ' A' ' 2' ' ' THR . 0.6 OUTLIER -56.24 -23.58 36.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.855 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -68.98 164.78 44.34 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.646 ' O ' ' C ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.87 147.27 34.3 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 0.0 111.017 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.646 ' C ' ' O ' ' A' ' 14' ' ' PRO . . . -18.17 108.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.522 ' HA3' ' HB2' ' A' ' 27' ' ' HIS . . . -95.85 -106.05 2.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.562 1.164 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.677 HG22 ' H ' ' A' ' 18' ' ' THR . 11.8 m -157.35 -177.69 6.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.677 ' H ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -86.57 109.37 19.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.988 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 20.2 m 27.81 74.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 108.239 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.612 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 5.5 t-105 -123.82 -60.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 107.997 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 79.75 118.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.701 HG23 ' CG ' ' A' ' 27' ' ' HIS . 41.2 p -79.56 -71.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -174.97 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.44 1.087 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.38 -40.15 2.71 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.514 1.134 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.811 HG23 ' HZ3' ' A' ' 13' ' ' LYS . 1.7 m -82.22 -32.94 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.483 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.663 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 2.9 m 57.22 72.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.701 ' CG ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -74.06 93.47 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.572 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.988 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -118.08 9.25 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.951 ' SG ' HD11 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -146.93 -169.82 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.322 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 m -135.64 -14.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.573 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . 98.28 115.23 3.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.769 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 80.46 107.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.445 ' HB2' ' CD ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER 80.92 53.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.995 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.562 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.3 m -148.39 175.72 10.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 108.356 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -168.94 43.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.934 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 5.9 m -117.46 148.62 43.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 108.299 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.559 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.6 Cg_endo -74.99 145.15 31.12 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.951 HD11 ' SG ' ' A' ' 29' ' ' CYS . 1.9 mp -133.11 63.86 1.63 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.645 ' CD1' ' OG1' ' A' ' 2' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.425 ' N ' ' HB3' ' A' ' 10' ' ' CYS . 10.6 m . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.651 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 47.0 m -71.07 -95.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.579 1.174 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.42 -99.25 1.03 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.557 1.16 . . . . 0.0 111.057 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.773 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.6 Cg_endo -74.88 -0.41 9.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.094 ' HB2' HD12 ' A' ' 38' ' ' LEU . 8.5 p 68.17 -56.82 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 108.362 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.71 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.3 m -56.77 97.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.705 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 4.5 tpp180 103.81 5.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.529 ' HB3' ' CB ' ' A' ' 3' ' ' THR . 77.6 mt-30 -150.09 -81.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.933 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -70.23 -19.45 63.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.427 1.08 . . . . 0.0 108.283 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 1.013 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -84.56 26.32 0.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 0.4 OUTLIER -73.45 4.66 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.928 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -70.25 -169.83 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.667 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.07 8.75 2.3 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 73.14 124.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.424 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -138.67 -153.28 6.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.703 HG21 ' CE3' ' A' ' 20' ' ' TRP . 0.3 OUTLIER -78.49 149.27 33.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 0.753 . . . . 0.0 110.443 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.406 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 1.5 t -46.17 -22.76 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.78 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 19.5 m -162.86 66.38 0.2 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 108.314 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.703 ' CE3' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -94.78 -73.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.057 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.605 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 1.8 tptm 71.1 119.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.457 ' CG2' ' CE1' ' A' ' 27' ' ' HIS . 40.3 p -101.17 -141.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.99 10.01 18.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.34 -40.37 1.97 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.092 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.34 157.12 43.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.449 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 1.28 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -86.63 75.03 9.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.973 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.644 ' C ' ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -45.13 -17.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.615 1.197 . . . . 0.0 109.62 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 1.024 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 1.5 m-85 -31.17 87.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.867 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER 158.15 -172.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.604 1.19 . . . . 0.0 108.282 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.901 HG22 ' HB3' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -148.77 -61.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.591 ' O ' ' CD ' ' A' ' 32' ' ' LYS . . . 156.87 114.75 0.45 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.591 ' CD ' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 40.26 28.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 0.713 . . . . 0.0 109.333 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.47 ' N ' ' C ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -159.41 47.11 0.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.947 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.901 ' HB3' HG22 ' A' ' 30' ' ' THR . 23.9 p -155.48 -153.08 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 169.67 35.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 1.024 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 36.5 m -112.67 169.93 5.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.681 ' HD2' ' HB3' ' A' ' 36' ' ' CYS . 18.5 Cg_endo -74.95 156.56 43.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.28 HD23 ' O ' ' A' ' 26' ' ' SER . 22.0 mt -147.02 49.99 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.731 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 96.0 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.752 HG21 ' HB3' ' A' ' 9' ' ' GLN . 20.3 m -156.59 -100.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.357 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.625 ' N ' ' HB2' ' A' ' 10' ' ' CYS . . . -100.72 -117.25 4.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.054 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 18.0 Cg_endo -74.99 -23.34 13.92 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER 88.4 110.97 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.822 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.6 m 135.71 52.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.658 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 144.38 -14.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.752 ' HB3' HG21 ' A' ' 3' ' ' THR . 5.8 mt-30 -156.16 -41.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.222 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.919 ' O ' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -98.46 18.85 15.61 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 108.346 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.822 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -129.77 0.5 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.336 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.599 ' C ' ' O ' ' A' ' 11' ' ' LYS . 3.2 pp -24.05 -42.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 1.016 ' HD3' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -48.8 176.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.498 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.04 151.71 39.67 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . -48.07 142.28 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.709 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -164.56 69.83 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.562 HG22 ' H ' ' A' ' 18' ' ' THR . 18.9 m 32.59 -134.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 0.76 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.562 ' H ' HG22 ' A' ' 17' ' ' THR . 1.7 m -140.98 142.63 34.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.396 1.06 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.658 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 61.6 m 40.43 69.92 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 108.351 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.551 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 3.4 t-105 -125.74 -75.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 107.983 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 92.55 128.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.598 ' CG2' ' CE1' ' A' ' 27' ' ' HIS . 37.9 p -90.15 -2.47 58.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 22' ' ' THR . 4.4 t 91.62 -30.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 tt -108.76 -64.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 109.321 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.755 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -73.77 -77.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.755 ' CB ' ' O ' ' A' ' 25' ' ' THR . 73.9 m 123.73 75.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.709 ' CG ' ' HA3' ' A' ' 16' ' ' GLY . 42.8 m170 -47.04 -73.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.557 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.658 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.4 m-85 30.75 49.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.416 1.072 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.36 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.9 OUTLIER 155.65 -175.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.411 1.07 . . . . 0.0 108.33 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -152.33 -40.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.557 ' C ' ' CD ' ' A' ' 32' ' ' LYS . . . 142.62 119.34 1.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.672 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 38.66 74.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.242 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.6 m 153.47 36.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 1.36 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 7.3 p -150.82 -156.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.351 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 1.2 t0 170.36 38.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.91 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -126.71 154.1 75.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.402 1.064 . . . . 0.0 108.374 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HD2' ' HD2' ' A' ' 28' ' ' TYR . 18.3 Cg_endo -74.95 136.34 20.37 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.544 1.813 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.016 HD13 ' HD3' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -124.47 68.95 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.423 ' N ' ' HB2' ' A' ' 26' ' ' SER . 69.0 t80 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.668 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.585 0.231 . . . . 0.0 110.452 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.639 ' OG1' ' CA ' ' A' ' 10' ' ' CYS . 46.8 p -61.12 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.505 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.502 ' N ' ' OG1' ' A' ' 3' ' ' THR . . . -94.8 -147.82 23.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.705 ' O ' ' C ' ' A' ' 6' ' ' CYS . 18.1 Cg_endo -75.05 48.84 2.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.84 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER 13.91 104.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 108.242 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.818 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER 154.63 45.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.22 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.633 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 3.3 tpt180 144.98 -9.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -146.22 -68.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.8 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -60.77 -41.14 94.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.329 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.785 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -83.96 56.8 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.637 1.211 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -6.81 37.72 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.971 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -86.38 166.27 28.94 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.543 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.04 129.48 12.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.817 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 30' ' ' THR . . . -39.85 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.513 ' O ' ' OG1' ' A' ' 17' ' ' THR . . . -100.07 -61.93 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 16' ' ' GLY . 91.4 m -161.86 157.53 24.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -82.45 111.5 18.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.875 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 4.5 m 46.97 62.11 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.382 1.051 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.565 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 2.2 t-105 -117.87 -59.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 26' ' ' SER . 1.2 tptp 76.24 119.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.532 HG22 ' CD2' ' A' ' 27' ' ' HIS . 46.8 p -73.57 -131.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.87 20.92 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.968 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -165.63 -40.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.662 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -92.29 -64.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.662 ' CB ' ' O ' ' A' ' 25' ' ' THR . 4.4 m 99.09 76.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.934 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CD2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.66 91.19 7.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.616 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.875 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -118.26 50.4 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.771 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -171.71 -152.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.508 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 6.3 t -160.56 -38.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 127.56 117.28 2.05 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.734 ' H ' ' CA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 69.99 -59.76 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 0.722 . . . . 0.0 109.251 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 3.4 p -90.61 75.62 6.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.017 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.818 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 10.0 p 176.98 174.6 0.41 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.426 1.079 . . . . 0.0 108.278 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -173.64 34.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.84 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -103.79 153.09 38.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.0 Cg_endo -75.06 123.53 7.92 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.54 1.81 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.971 HD22 ' HD3' ' A' ' 13' ' ' LYS . 1.3 mp -97.06 51.04 1.1 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . 1.028 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.553 0.216 . . . . 0.0 110.419 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.619 ' HB ' ' C ' ' A' ' 9' ' ' GLN . 84.4 m -88.01 -95.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -126.72 -119.93 2.32 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.703 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo -75.08 12.03 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.159 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 2.8 p 67.48 -56.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.485 1.116 . . . . 0.0 108.289 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 3.8 m -50.79 86.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 108.259 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.681 ' HB3' ' O ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER 91.56 -6.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.206 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 1.057 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 8.3 mt-30 -152.84 79.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 1.094 ' CB ' ' HA ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER 135.76 -56.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.25 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.943 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -70.93 31.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.643 ' H ' ' C ' ' A' ' 10' ' ' CYS . 2.9 pp -49.5 -19.03 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.994 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -75.48 179.39 1.43 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.721 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -74.97 34.33 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.431 1.753 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.935 ' HB1' ' HA ' ' A' ' 30' ' ' THR . . . 35.0 -154.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.59 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . 165.75 -69.34 0.19 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.947 ' O ' HG23 ' A' ' 30' ' ' THR . 2.4 m -123.13 -138.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.354 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.02 1.94 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.733 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 170.57 40.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.405 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -123.34 99.82 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.847 ' O ' ' CB ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -82.7 128.28 34.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.847 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 10.5 t 126.78 -143.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.784 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER 57.77 18.12 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.971 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.784 ' CB ' ' O ' ' A' ' 23' ' ' SER . 48.2 tp 121.51 -7.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.595 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER 159.79 151.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.369 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.634 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 1.8 m -40.3 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.374 1.046 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.59 ' CD2' ' HA3' ' A' ' 16' ' ' GLY . 1.2 m-70 -106.14 38.68 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.729 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.733 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -78.36 32.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.95 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 4.2 t -170.32 175.69 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 108.278 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.947 HG23 ' O ' ' A' ' 17' ' ' THR . 0.6 OUTLIER -126.86 -34.89 2.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.478 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 115.67 109.79 2.7 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.568 1.167 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.607 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER 84.59 -54.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.441 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 2.3 m -109.67 83.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.072 . . . . 0.0 110.082 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 31.9 p -166.96 -151.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 1.2 m-20 154.0 69.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 109.281 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -162.25 148.4 10.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 108.241 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.612 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -75.02 138.57 23.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.994 HD22 ' HD3' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -116.83 67.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.643 ' CA ' ' HB2' ' A' ' 10' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.613 ' N ' ' HB2' ' A' ' 10' ' ' CYS . 98.1 m -158.07 -90.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 110.463 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.03 -111.01 1.84 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.56 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.7 Cg_endo -74.81 3.06 5.85 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.494 1.786 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.883 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER 68.18 -57.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.851 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -50.18 107.45 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.27 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.712 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 69.6 28.0 4.64 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.092 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 8' ' ' ARG . 32.0 mm-40 -157.05 -85.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.883 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -93.1 34.17 1.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.802 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -141.62 28.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.605 1.191 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -45.38 -19.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.817 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -40.03 162.65 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.02 33.04 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 59.07 111.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.721 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -102.21 -89.17 2.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.064 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.841 ' HB ' ' HE2' ' A' ' 27' ' ' HIS . 21.0 m -157.46 -110.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.386 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.613 ' N ' HG22 ' A' ' 17' ' ' THR . 1.2 m -144.98 108.44 4.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.926 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 95.2 m 41.24 87.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.73 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t90 -141.88 -50.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 12.6 tptm 72.08 130.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.483 ' O ' ' O ' ' A' ' 25' ' ' THR . 3.4 t -177.78 -177.03 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.543 ' O ' ' HB3' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 50.87 25.07 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.119 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.543 ' HB3' ' O ' ' A' ' 23' ' ' SER . 2.8 tt 73.5 5.55 4.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.635 1.209 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -129.06 130.47 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.502 ' CB ' ' HA ' ' A' ' 38' ' ' LEU . 2.3 m -60.62 71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.841 ' HE2' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -44.41 -23.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.576 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.926 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.8 m-85 -21.42 77.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.787 ' N ' ' O ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER 156.43 -167.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.3 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.687 ' CA ' ' HZ3' ' A' ' 11' ' ' LYS . 1.6 t -153.86 -51.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.397 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 32' ' ' LYS . . . 138.34 113.18 1.14 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.691 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 74.2 -53.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.486 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 46.9 p -99.14 74.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.851 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 17.4 p -170.79 -165.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 108.313 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 52.1 t0 168.36 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.602 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 62.6 m -115.79 158.32 42.39 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 108.329 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.604 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.06 144.58 30.2 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.877 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 2.3 mp -135.27 60.15 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.716 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.688 HG21 ' HB3' ' A' ' 9' ' ' GLN . 2.6 m -50.55 -131.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -101.33 -111.5 3.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.919 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.0 21.51 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 19.7 p 51.88 -59.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 108.394 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 1.291 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 1.4 m -39.97 107.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 108.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.567 ' HG2' ' C ' ' A' ' 7' ' ' CYS . 4.5 mmm180 89.51 -14.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.945 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 3.9 mm-40 -147.15 70.01 1.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.242 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.945 ' SG ' ' O ' ' A' ' 9' ' ' GLN . 63.0 m 140.32 -58.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.857 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -50.64 -3.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.708 ' H ' ' C ' ' A' ' 10' ' ' CYS . 1.3 pp -36.44 -25.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 1.012 ' NZ ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -52.52 172.44 0.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.687 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.98 44.79 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.601 1.843 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 57.53 148.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.559 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -145.48 -83.75 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 ' H ' ' A' ' 18' ' ' THR . 3.1 m -156.88 -145.36 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.495 ' H ' HG22 ' A' ' 17' ' ' THR . 1.8 t -124.1 5.84 8.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.364 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.715 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 164.48 60.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 108.274 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.656 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 42.3 t-105 -111.01 -71.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 0.0 OUTLIER 74.94 119.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 23' ' ' SER . 63.9 p -78.08 -111.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 110.482 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' ' OG1' ' A' ' 22' ' ' THR . 1.5 m -147.86 17.0 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.077 . . . . 0.0 110.002 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.12 -71.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.012 HG23 ' NZ ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -61.06 -47.16 87.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.581 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 0.4 OUTLIER 71.56 88.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.037 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.899 ' O ' HD22 ' A' ' 38' ' ' LEU . 19.4 m-70 -58.38 -104.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.657 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.715 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER 65.41 33.73 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.997 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 11.5 t 174.92 169.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 108.274 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.551 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -129.28 -76.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.672 ' HA2' ' HG2' ' A' ' 11' ' ' LYS . . . 178.5 110.72 0.28 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.764 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.0 OUTLIER 66.81 95.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.474 0.75 . . . . 0.0 109.326 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.764 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 58.0 m 123.23 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.059 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 1.291 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 27.6 p 28.57 -141.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 108.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 2.2 m-20 149.0 58.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.62 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -167.27 148.48 5.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.269 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.605 ' C ' HD23 ' A' ' 38' ' ' LEU . 18.3 Cg_endo -75.04 140.44 25.34 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.57 1.826 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.944 HD21 ' HB2' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -104.21 45.81 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' THR . . . . . 1.095 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' A' ' 9' ' ' GLN . 8.1 m -133.68 -95.38 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.477 ' N ' HG22 ' A' ' 3' ' ' THR . . . -130.66 -115.58 1.75 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.743 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -75.04 7.64 2.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.062 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 13.8 p 62.4 -54.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.072 . . . . 0.0 108.36 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.793 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -49.6 82.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 108.28 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.711 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 2.8 mmm180 99.7 -13.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 1.013 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 3.9 mt-30 -146.35 75.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 1.095 ' HG ' ' N ' ' A' ' 2' ' ' THR . 2.7 t 138.3 -55.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.239 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.876 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -69.54 37.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.612 ' H ' ' C ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -48.38 -14.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.831 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -59.23 158.84 17.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.896 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.04 48.91 2.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 71.56 119.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' CA ' ' CG ' ' A' ' 27' ' ' HIS . . . -114.84 -100.72 2.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.393 1.058 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 29' ' ' CYS . 75.6 m -145.5 -119.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 19' ' ' CYS . 4.3 m -161.24 116.94 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 39.7 m 37.79 58.87 1.36 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 108.344 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.598 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 3.6 t-105 -128.16 -71.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 107.94 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.65 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 89.2 122.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.542 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 73.1 p -77.38 179.68 6.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.173 . . . . 0.0 110.41 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.98 ' C ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -88.91 12.65 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.98 HD13 ' C ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -130.48 -76.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.753 HG22 ' N ' ' A' ' 26' ' ' SER . 1.6 m -93.03 -100.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.454 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.753 ' N ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER 176.43 115.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CG ' ' CG2' ' A' ' 22' ' ' THR . 36.9 m170 -100.92 30.8 3.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -68.78 44.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.018 ' HB3' HD21 ' A' ' 38' ' ' LEU . 16.2 t 173.88 167.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 108.258 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.563 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -122.07 -43.55 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.718 ' HA2' ' HZ2' ' A' ' 11' ' ' LYS . . . 128.42 107.6 1.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.793 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 18.2 tptp 79.19 107.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.805 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.7 t 87.17 52.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 28.2 m -134.7 -168.82 2.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 5' ' ' PRO . 40.4 t0 173.09 40.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.459 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -131.56 141.3 41.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.05 137.14 21.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.018 HD21 ' HB3' ' A' ' 29' ' ' CYS . 2.1 mp -107.7 56.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.556 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.6 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.993 ' N ' ' HG ' ' A' ' 10' ' ' CYS 0.82 0.5 OUTLIER . . . . . 2 N--CA 0.821 -31.921 1 N-CA-C 126.232 5.642 . . . . 3.1099999999999999 126.232 . . . . . . . . . 5 3 . 1 . 022 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 10' ' ' CYS . 90.4 m -104.67 -94.81 0.34 Allowed 'General case' 1 C--N 1.014 -13.992 3 O-C-N 103.89 -11.756 . . . . 1.0800000000000001 110.488 -179.997 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.414 ' HA3' ' HD3' ' A' ' 5' ' ' PRO . . . -122.44 -116.1 2.33 Favored Glycine 0 C--N 1.286 -2.247 0 N-CA-C 111.86 -0.496 . . . . 0.76000000000000001 111.86 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.522 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo -73.95 8.47 2.02 Favored 'Trans proline' 0 C--O 1.155 -3.633 0 O-C-N 124.887 1.993 . . . . 0.70999999999999996 111.406 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 1.101 ' HA ' ' HB3' ' A' ' 10' ' ' CYS . 3.9 p 57.92 -60.2 0.03 OUTLIER 'General case' 1 C--O 0.684 -28.7 0 CA-C-O 128.136 3.827 . . . . 1.5800000000000001 107.501 -179.91 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.914 ' SG ' ' CB ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -45.44 80.43 0.0 OUTLIER 'General case' 2 C--N 0.972 -15.812 3 O-C-N 90.762 -19.961 . . . . 0.93999999999999995 108.38 179.921 . . . . . . . . 5 4 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.746 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 27.7 tpt180 111.38 -11.11 0.01 OUTLIER 'General case' 0 C--N 1.261 -3.275 0 O-C-N 120.947 -1.095 . . . . 3.2999999999999998 110.755 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.478 ' HB3' HG21 ' A' ' 3' ' ' THR . 2.6 mt-30 -138.98 -63.32 0.53 Allowed 'General case' 1 C--O 0.64 -31.006 1 CA-C-O 130.597 4.999 . . . . 2.3100000000000001 111.931 -179.956 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 1.139 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 21.3 t -88.37 -13.73 39.88 Favored 'General case' 2 C--N 0.917 -18.233 3 O-C-N 86.289 -22.757 . . . . 1.3899999999999999 111.133 -179.992 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 1.442 ' NZ ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -101.22 33.6 2.83 Favored 'General case' 1 C--N 1.231 -4.575 0 O-C-N 119.44 -2.037 . . . . 2.21 109.456 179.976 . . . . . . . . 4 4 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 pp -53.49 -17.75 2.25 Favored 'General case' 0 C--N 1.26 -3.321 0 N-CA-C 109.408 -0.59 . . . . 1.02 109.408 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 1.079 ' HE2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.65 167.21 1.92 Allowed Pre-proline 0 C--N 1.292 -1.907 0 CA-C-N 115.812 -0.631 . . . . 2.1000000000000001 109.839 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.702 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -75.21 55.79 4.17 Favored 'Trans proline' 1 C--O 0.919 -15.445 0 CA-C-O 126.609 2.67 . . . . 1.3899999999999999 111.895 179.947 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.702 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 45.92 131.52 0.0 OUTLIER 'General case' 2 C--N 1.043 -12.72 2 O-C-N 106.777 -9.952 . . . . 0.93999999999999995 110.225 179.998 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.618 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -134.77 -93.65 0.46 Allowed Glycine 2 C--O 0.734 -31.134 0 CA-C-O 123.841 1.8 . . . . 1.5 112.165 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.781 HG22 ' H ' ' A' ' 18' ' ' THR . 35.6 m -147.48 -171.38 3.78 Favored 'General case' 2 C--N 1.023 -13.617 3 O-C-N 98.627 -14.455 . . . . 1.05 111.108 179.943 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.781 ' H ' HG22 ' A' ' 17' ' ' THR . 0.7 OUTLIER -102.05 109.35 21.04 Favored 'General case' 2 C--O 0.849 -19.976 0 CA-C-O 128.352 3.929 . . . . 1.3700000000000001 111.005 -179.942 . . . . . . . . 4 4 . 1 . 022 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.881 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 96.6 m 53.67 65.46 1.51 Allowed 'General case' 1 C--N 0.994 -14.854 3 O-C-N 100.752 -13.718 . . . . 0.78000000000000003 108.252 179.96 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.506 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 2.8 t-105 -122.69 -62.12 1.39 Allowed 'General case' 1 C--O 1.006 -11.736 0 CA-C-O 118.052 -0.975 . . . . 3.1800000000000002 109.354 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 1.495 ' NZ ' ' CD ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 73.88 127.09 0.04 OUTLIER 'General case' 1 C--N 1.213 -5.34 0 CA-C-N 123.93 3.059 . . . . 3.0299999999999998 113.478 179.965 . . . . . . . . 4 4 . 1 . 022 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.542 HG21 ' CE1' ' A' ' 27' ' ' HIS 0.448 13.0 p -93.15 -133.18 0.15 Allowed 'General case' 2 C--O 0.503 -38.215 0 N-CA-C 120.17 3.396 . . . . 1.6799999999999999 120.17 -179.978 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.398 0.5 OUTLIER -128.04 1.42 5.9 Favored 'General case' 4 C--N 0.826 -22.17 4 O-C-N 90.638 -20.039 . . . . 2.7200000000000002 116.178 -179.907 . . . . . . . . 5 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.699 ' C ' ' HG ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -143.28 -51.42 0.35 Allowed 'General case' 3 C--N 0.955 -16.556 1 O-C-N 110.983 -7.323 . . . . 2.9100000000000001 112.885 -179.915 . . . . . . . . 5 4 . 1 . 022 nuclear build core ' A' A ' 25' ' ' THR . . . . . 1.224 ' O ' ' CA ' ' A' ' 26' ' ' SER . 1.2 m -103.95 -42.08 5.68 Favored 'General case' 2 C--O 0.52 -37.34 2 CA-C-O 145.357 12.027 . . . . 2.0099999999999998 111.893 179.997 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . 1.224 ' CA ' ' O ' ' A' ' 25' ' ' THR . 3.3 m 94.49 91.61 0.01 OUTLIER 'General case' 1 C--N 0.818 -22.523 3 O-C-N 58.904 -39.873 . . . . 1.3700000000000001 109.944 -179.934 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.618 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . 7.4 m170 -76.47 -16.53 59.65 Favored 'General case' 2 C--O 0.534 -36.563 1 CA-C-O 136.705 7.907 . . . . 1.96 109.846 -179.969 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 1.432 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -18.94 43.4 0.0 OUTLIER 'General case' 2 C--N 0.89 -19.407 3 O-C-N 70.976 -32.327 . . . . 1.4199999999999999 111.023 -179.931 . . . . . . . . 5 4 . 1 . 022 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.013 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER 176.68 -169.41 0.06 Allowed 'General case' 1 C--O 1.149 -4.207 0 C-N-CA 123.542 0.737 . . . . 1.03 109.057 179.993 . . . . . . . . 4 4 . 1 . 022 nuclear build core ' A' A ' 30' ' ' THR . . . . . 1.174 ' CG2' ' CA ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -146.79 -42.57 0.19 Allowed 'General case' 1 C--O 1.142 -4.56 0 CA-C-O 122.073 0.939 . . . . 1.46 110.805 179.949 . . . . . . . . 4 4 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.724 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 133.07 113.29 1.42 Allowed Glycine 1 C--N 1.239 -4.821 0 O-C-N 120.276 -1.515 . . . . 0.66000000000000003 111.048 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 1.468 ' CB ' ' CE ' ' A' ' 32' ' ' LYS . 4.5 tmtt? 74.93 36.11 0.57 Allowed 'General case' 2 C--O 0.378 -44.769 1 CA-C-O 154.876 16.56 . . . . 3.8300000000000001 111.975 179.93 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' SER . . . . . 1.213 ' CA ' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 165.68 49.89 0.0 OUTLIER 'General case' 3 C--N 0.811 -22.823 3 O-C-N 38.205 -52.809 . . . . 1.6499999999999999 112.933 179.968 . . . . . . . . 5 4 . 1 . 022 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 1.19 ' SG ' ' CA ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -137.03 -164.9 1.66 Allowed 'General case' 2 C--N 1.078 -11.238 1 O-C-N 109.574 -8.204 . . . . 1.1899999999999999 108.228 179.976 . . . . . . . . 5 4 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.568 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 11.2 t0 173.16 44.65 0.0 OUTLIER 'General case' 0 C--O 1.156 -3.866 0 CA-C-O 122.878 1.323 . . . . 2.3399999999999999 109.883 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 1.1 m -131.39 148.19 69.14 Favored Pre-proline 1 C--N 1.229 -4.634 0 O-C-N 120.387 -1.446 . . . . 0.66000000000000003 108.429 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.03 138.47 23.01 Favored 'Trans proline' 0 C--O 1.184 -2.193 0 C-N-CA 121.489 1.459 . . . . 0.75 111.847 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.013 HD21 ' HB2' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -115.82 60.17 0.72 Allowed 'General case' 0 C--O 1.189 -2.086 0 N-CA-C 108.814 -0.81 . . . . 1.0 108.814 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . 0.262 30.5 t80 . . . . . 2 C--O 0.963 -14.021 0 N-CA-C 115.269 1.581 . . . . 4.2699999999999996 115.269 -179.996 . . . . . . . . 2 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 36.8 m -152.83 60.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.363 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.458 ' H ' ' CB ' ' A' ' 10' ' ' CYS . 25.7 m -70.36 -52.76 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.21 -108.46 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 1.007 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.91 4.36 4.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.781 ' C ' ' HB3' ' A' ' 11' ' ' LYS . 5.9 p 44.91 -62.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 108.335 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.007 ' N ' ' O ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -37.74 104.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 1.7 ptt85 84.16 -42.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.391 1.057 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 6' ' ' CYS . 2.3 mt-30 -77.84 -83.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 1.033 ' O ' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -108.83 64.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.781 ' HB3' ' C ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -166.27 92.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 pp -108.42 1.28 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.745 ' CD ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.35 160.13 0.32 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.05 47.81 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . 50.65 99.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.544 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -106.76 -101.81 2.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 18' ' ' THR . 13.1 m -156.93 -179.24 8.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' THR . 3.2 m -83.69 127.71 33.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 0.0 110.356 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.597 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 93.6 m 40.86 57.33 2.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.537 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -106.36 -70.92 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.573 1.171 . . . . 0.0 108.0 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 69.74 130.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 23' ' ' SER . 33.1 p -91.03 -73.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 22' ' ' THR . 1.2 m 155.18 40.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.74 -42.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.698 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -115.95 -63.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.404 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.698 ' CB ' ' O ' ' A' ' 25' ' ' THR . 5.0 t 105.07 109.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.655 ' O ' HD22 ' A' ' 38' ' ' LEU . 6.3 m-70 -80.22 -58.08 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.586 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.87 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 2.1 m-85 20.91 52.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.87 ' SG ' ' O ' ' A' ' 28' ' ' TYR . 16.6 m 165.24 -123.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 108.323 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.613 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER 157.7 -18.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.742 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 92.87 103.44 1.56 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.753 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.9 tptt 138.51 -96.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -113.37 82.25 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.474 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 17.4 m -129.31 -172.57 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -174.78 35.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 9.5 m -122.16 136.8 26.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 108.23 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.587 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -74.99 117.58 4.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.033 HD11 ' O ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -96.02 71.74 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.509 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 2.9 t80 170.42 93.41 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 122.07 6.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.607 ' N ' ' HB3' ' A' ' 10' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.4 OUTLIER 174.14 -14.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 2' ' ' THR . 24.5 m -56.53 -123.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.37 -107.55 3.04 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.836 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.07 5.23 4.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.943 ' SG ' HD11 ' A' ' 38' ' ' LEU . 13.2 p 57.72 -48.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 108.253 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.879 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.3 m -45.74 100.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.077 . . . . 0.0 108.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.552 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER 88.37 -23.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.599 1.187 . . . . 0.0 110.263 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 6' ' ' CYS . 7.5 mm-40 -91.4 -91.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.749 ' H ' ' HA ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -113.33 64.35 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.879 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -149.63 28.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 13' ' ' LYS . 2.9 pp -55.58 -11.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 1.116 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.03 160.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.98 36.79 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.433 1.754 . . . . 0.0 110.997 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HB1' ' OG1' ' A' ' 30' ' ' THR . . . 60.53 133.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.655 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -144.55 -125.44 1.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 29' ' ' CYS . 18.9 m -122.37 165.6 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 110.44 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.1 m -82.63 138.19 34.25 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.566 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 4.0 m 36.56 54.99 1.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.481 1.113 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.483 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 15.2 t-105 -113.6 -64.9 1.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.546 1.154 . . . . 0.0 107.948 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 2.5 tptm 71.92 117.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.614 ' O ' ' CB ' ' A' ' 23' ' ' SER . 44.6 p -75.73 -15.12 60.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.614 ' CB ' ' O ' ' A' ' 22' ' ' THR . 2.3 t 94.83 -10.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.944 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -115.95 -71.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.616 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -90.5 -47.42 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.616 ' CB ' ' O ' ' A' ' 25' ' ' THR . 2.4 m 95.69 133.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.771 ' O ' ' N ' ' A' ' 29' ' ' CYS . 63.3 m170 -109.31 -51.76 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.617 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 1.6 m-85 24.05 34.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.913 ' SG ' HD11 ' A' ' 38' ' ' LEU . 1.3 p 160.23 -172.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.535 ' OG1' ' HB1' ' A' ' 15' ' ' ALA . 8.9 t -137.7 -42.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.548 ' N ' ' HD2' ' A' ' 11' ' ' LYS . . . 145.52 115.97 0.99 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.446 1.091 . . . . 0.0 111.015 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.637 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER 76.91 -75.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.33 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.01 75.6 10.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.644 ' HB2' ' CB ' ' A' ' 29' ' ' CYS . 13.8 p -147.87 -161.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.222 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 168.85 75.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.506 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 170.89 136.01 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.617 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -74.93 147.01 33.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.462 1.77 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.116 HD22 ' CD ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -104.41 80.81 1.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -178.95 156.23 0.87 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -75.01 -53.01 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.452 1.764 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.654 ' HB ' ' O ' ' A' ' 1' ' ' CYS . 2.0 t 167.29 72.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.439 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.823 HG21 ' HB3' ' A' ' 9' ' ' GLN . 23.2 m -143.41 -126.0 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.89 -131.19 4.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.728 ' O ' ' C ' ' A' ' 6' ' ' CYS . 18.5 Cg_endo -74.95 58.37 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.574 1.829 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.788 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -4.73 104.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 108.372 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.814 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER 159.58 44.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 108.299 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.594 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 4.0 tpm_? 149.55 -13.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.174 . . . . 0.0 110.298 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.823 ' HB3' HG21 ' A' ' 3' ' ' THR . 5.5 mm-40 -140.09 -72.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.337 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 14.2 t -54.38 -48.69 71.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 108.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.814 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -76.93 53.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.93 -9.36 4.12 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.816 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.37 162.85 16.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.0 39.53 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 60.95 124.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.207 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.11 -95.27 0.68 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.673 1.233 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.552 ' O ' ' N ' ' A' ' 29' ' ' CYS . 81.4 m -152.65 151.74 30.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 0.772 . . . . 0.0 110.453 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.531 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -73.06 133.84 44.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 0.0 110.399 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.706 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 4.5 m 32.47 57.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.497 ' CB ' ' HB ' ' A' ' 17' ' ' THR . 24.3 t-105 -115.8 -64.08 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 108.045 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 11.5 tptp 73.87 126.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.426 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 35.7 p -116.9 171.52 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.72 0.6 33.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tp -109.28 -45.64 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 27' ' ' HIS . 26.3 m -156.6 118.02 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.629 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 5.1 t -49.23 87.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' N ' ' O ' ' A' ' 25' ' ' THR . 32.3 m170 -91.8 98.83 11.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.545 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.841 ' H ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -108.82 25.77 11.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.091 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.769 ' SG ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -165.21 -154.7 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.55 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 11.5 m -155.81 -35.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 110.389 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 32' ' ' LYS . . . 135.24 119.96 1.98 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.429 1.081 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.757 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 57.78 122.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.553 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 85.14 43.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.667 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -154.97 163.42 40.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.575 1.172 . . . . 0.0 108.244 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -160.88 34.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.788 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -103.51 147.09 33.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 108.316 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -74.98 127.66 10.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.85 HD12 ' SG ' ' A' ' 1' ' ' CYS . 0.8 OUTLIER -107.11 35.27 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 26' ' ' SER . 41.1 t80 -60.04 114.6 10.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 1' ' ' CYS . 18.6 Cg_endo -74.96 -66.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.463 1.77 . . . . 0.0 111.05 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' C ' ' CE1' ' A' ' 39' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.919 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.539 ' N ' ' HB3' ' A' ' 39' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 39' ' ' TYR . 73.5 p -140.38 18.33 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.589 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 21.0 m -40.38 -65.15 0.44 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.56 1.162 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.431 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -135.76 -126.33 2.57 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.449 1.093 . . . . 0.0 111.069 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.755 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.6 Cg_endo -74.97 13.62 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 3.8 p 60.74 -50.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -48.73 122.61 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.401 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.608 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 6.8 tpt180 68.35 2.16 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' CYS . 19.6 mt-30 -128.49 -91.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.374 1.046 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.741 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 8.4 m -68.41 -25.95 65.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.07 . . . . 0.0 108.287 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.929 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -81.17 37.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' H ' ' C ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -56.79 -3.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 1.031 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -91.01 158.16 42.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 54.46 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 30' ' ' THR . . . 65.17 175.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 17' ' ' THR . . . 159.37 44.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' CYS . 3.2 m 82.82 176.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.483 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -119.18 146.19 45.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.651 ' HA ' ' CD1' ' A' ' 28' ' ' TYR . 1.6 m 36.16 62.66 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.277 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.444 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 6.4 t90 -129.49 -62.51 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.499 ' HA ' ' N ' ' A' ' 27' ' ' HIS . 2.6 mtpm? 72.51 122.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.426 HG21 ' CE1' ' A' ' 27' ' ' HIS . 14.2 p -96.34 173.55 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.435 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.25 12.41 31.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.886 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.73 -48.74 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.829 HG22 ' N ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -123.48 -83.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.48 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.829 ' N ' HG22 ' A' ' 25' ' ' THR . 1.0 OUTLIER 151.68 92.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.993 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.765 ' O ' ' HD1' ' A' ' 28' ' ' TYR . 48.3 m170 -87.66 166.97 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.93 ' N ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 166.91 25.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.932 ' SG ' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 175.0 -165.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 108.275 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.589 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 3.5 m -127.14 -41.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.397 1.06 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.697 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 129.72 110.21 1.42 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.697 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER 145.12 -100.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 0.0 109.173 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.1 p -125.99 70.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 7.9 p -94.91 -173.68 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 108.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -149.15 34.78 0.73 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.488 1.118 . . . . 0.0 109.349 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 1.7 m -139.62 112.41 7.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.618 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.3 Cg_endo -74.99 127.57 10.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.031 HD22 ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -92.28 110.18 21.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.215 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.596 ' CD1' ' HB3' ' A' ' 26' ' ' SER . 0.1 OUTLIER 80.08 140.91 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.06 166.46 29.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.547 1.814 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.585 HG21 HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -143.73 -49.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.913 ' H ' ' HB2' ' A' ' 10' ' ' CYS . 1.5 m -118.58 -88.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.638 1.211 . . . . 0.0 110.4 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.545 ' N ' HG22 ' A' ' 3' ' ' THR . . . -128.75 -100.06 0.97 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.549 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -75.03 -10.46 21.17 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.594 1.839 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.91 ' CA ' ' HB3' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 73.11 -55.55 0.68 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.067 . . . . 0.0 108.272 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.779 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -53.04 68.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.334 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.817 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER 135.73 -18.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.704 ' O ' ' N ' ' A' ' 12' ' ' LEU . 8.1 mm-40 -138.72 -87.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -41.74 -26.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.372 1.045 . . . . 0.0 108.282 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.857 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -95.14 31.98 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.704 ' N ' ' O ' ' A' ' 9' ' ' GLN . 2.6 pp -41.67 -32.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.986 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.47 163.99 0.69 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.534 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 14.0 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 73.05 139.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' HA3' ' ND1' ' A' ' 27' ' ' HIS . . . -132.0 -60.72 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.51 ' HB ' ' CB ' ' A' ' 20' ' ' TRP . 96.8 m -158.5 156.18 29.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.481 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.3 m -74.39 121.77 21.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.178 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.736 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.3 m 35.45 61.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 1.2 t-105 -115.59 -60.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 89.43 125.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.377 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.762 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 18.2 p -80.46 18.03 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.432 ' HB3' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 70.64 2.53 4.15 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 23' ' ' SER . 0.0 OUTLIER -157.74 -82.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -48.98 -44.6 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.369 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.597 ' HB2' ' N ' ' A' ' 39' ' ' TYR . 2.6 m 86.0 89.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.036 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.762 ' CG ' ' CG2' ' A' ' 22' ' ' THR . 17.1 m170 -87.97 10.23 19.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.566 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.736 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -50.71 83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.06 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.802 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 163.66 -158.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 108.297 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -156.08 -41.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 110.475 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.775 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 109.43 108.25 3.16 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.775 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 122.61 -92.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 0.7 . . . . 0.0 109.379 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.526 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.5 m -108.99 85.64 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.665 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 12.5 m -143.33 -151.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.365 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p30 164.64 41.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 33.2 m -114.41 149.12 41.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.76 ' HA ' ' HA ' ' A' ' 1' ' ' CYS . 18.5 Cg_endo -75.01 139.54 24.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.986 HD22 ' HD3' ' A' ' 13' ' ' LYS . 1.4 mp -131.18 72.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.597 ' N ' ' HB2' ' A' ' 26' ' ' SER . 33.1 t80 -176.34 146.92 0.79 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.49 ' HD2' ' CG ' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -75.06 126.56 10.0 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.58 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.508 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -146.98 14.49 1.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.672 HG21 ' HG2' ' A' ' 9' ' ' GLN . 26.9 m -50.18 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.621 1.201 . . . . 0.0 110.37 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -127.81 -134.15 3.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.829 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.08 34.01 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.867 ' CB ' HD21 ' A' ' 38' ' ' LEU . 26.3 p 56.85 -56.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.829 ' N ' ' O ' ' A' ' 5' ' ' PRO . 45.6 m -52.46 97.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 108.279 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.744 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER 110.94 6.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.672 ' HG2' HG21 ' A' ' 3' ' ' THR . 3.3 mp0 -157.22 -86.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.723 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 5.0 m -58.92 -23.88 61.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.27 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 1.091 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -79.25 6.86 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' LYS . 3.0 pp -38.72 -32.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.626 ' NZ ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -62.95 167.68 5.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 0.0 109.369 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.607 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -74.97 42.26 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.429 1.752 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 57.41 148.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.621 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -140.26 -106.64 0.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 20' ' ' TRP . 1.2 m -132.49 161.06 34.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 0.825 . . . . 0.0 110.464 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.604 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -68.11 119.01 12.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.838 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 25.75 66.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.4 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.592 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 28.0 t-105 -178.29 91.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.987 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.557 ' C ' ' OG1' ' A' ' 22' ' ' THR . 0.6 OUTLIER -173.05 -113.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.199 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.557 ' OG1' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER 51.87 -175.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.64 3.83 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -151.6 -37.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.173 . . . . 0.0 109.21 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.64 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -159.85 -45.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 0.0 110.382 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.4 m 99.18 89.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.621 ' CD2' ' HA3' ' A' ' 16' ' ' GLY . 4.2 m80 -94.63 -51.7 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.838 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER 20.57 62.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.549 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 179.85 -148.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 108.296 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.561 ' CG2' ' O ' ' A' ' 30' ' ' THR . 0.9 OUTLIER -161.97 11.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.612 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 55.63 121.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.422 1.076 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.67 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 77.64 -69.91 0.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 86.73 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.945 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.569 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 18.3 p -157.96 -164.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER 179.92 69.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.831 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 1.8 m -169.98 154.24 5.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 108.27 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.95 ' C ' HD23 ' A' ' 38' ' ' LEU . 18.3 Cg_endo -74.97 136.7 20.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 111.081 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.147 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -111.53 48.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.579 ' HA ' ' CB ' ' A' ' 26' ' ' SER . 4.4 t80 172.35 150.68 0.21 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 39' ' ' TYR . 18.6 Cg_endo -75.04 168.78 24.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.584 1.834 . . . . 0.0 111.034 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.554 1.158 . . . . 0.0 111.035 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.944 ' H1 ' ' CB ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.676 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 1.1 m -119.03 -44.96 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.908 ' H ' ' HA ' ' A' ' 10' ' ' CYS . 84.8 m -115.14 -80.74 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.554 1.159 . . . . 0.0 110.447 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.857 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . -112.29 -123.08 4.16 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -74.98 -20.51 16.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.4 1.737 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.741 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 93.97 150.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.272 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.966 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 94.33 31.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.354 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.62 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 48.7 tpt85 173.34 -10.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.681 ' HB3' HG21 ' A' ' 3' ' ' THR . 1.8 mt-30 -173.77 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.971 ' O ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -77.38 -4.61 46.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 108.306 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.62 ' HD2' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -129.6 25.52 5.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.775 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -36.83 -31.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.787 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -37.68 156.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.309 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.07 53.92 3.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.57 1.827 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . 61.33 136.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.363 1.04 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.411 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -176.54 85.08 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.676 HG22 ' H ' ' A' ' 18' ' ' THR . 18.9 m 48.88 -179.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.676 ' H ' HG22 ' A' ' 17' ' ' THR . 4.7 t -117.57 12.25 14.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.682 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER 171.35 66.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.553 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 6.8 t-105 -119.77 -67.27 0.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HA ' ' N ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 74.59 118.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.352 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.3 p -111.11 -176.83 3.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.355 1.035 . . . . 0.0 110.351 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.76 -10.02 49.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.94 -33.56 8.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.66 ' HB ' ' CE1' ' A' ' 27' ' ' HIS . 4.2 m -161.93 120.05 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 0.0 110.436 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -56.19 81.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.66 ' CE1' ' HB ' ' A' ' 25' ' ' THR . 3.0 m-70 -73.94 86.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.682 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -127.15 43.99 3.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.076 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.861 ' HB2' HD11 ' A' ' 38' ' ' LEU . 1.4 m 172.69 167.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.527 HG23 ' SG ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -124.66 -57.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 7' ' ' CYS . . . 159.9 109.38 0.25 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.966 ' N ' ' O ' ' A' ' 7' ' ' CYS . 33.3 mmtt 62.8 125.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 3.2 t 91.82 20.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.934 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.592 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 2.4 m -130.46 176.64 7.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 108.254 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 5' ' ' PRO . 14.7 t70 -170.37 23.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -95.79 143.59 26.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.944 ' CB ' ' H1 ' ' A' ' 1' ' ' CYS . 18.5 Cg_endo -74.95 131.46 14.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.547 1.814 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.971 HD13 ' O ' ' A' ' 10' ' ' CYS . 3.7 mp -108.06 55.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.562 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 2.1 t80 -168.85 149.6 4.24 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.562 ' HD2' ' CD2' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.99 65.12 6.06 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.08 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 22.3 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.749 HG22 ' C ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 158.05 -0.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 110.426 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.642 HG22 ' HB3' ' A' ' 9' ' ' GLN . 23.8 m -59.18 -102.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.461 ' N ' HG22 ' A' ' 3' ' ' THR . . . -126.93 -117.0 2.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.737 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.0 10.82 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.933 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 4.7 p 60.98 -56.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.806 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -49.87 72.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 108.238 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.815 ' N ' ' O ' ' A' ' 6' ' ' CYS . 9.5 tpt180 106.55 -11.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.895 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -150.5 77.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.242 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 130.75 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 108.333 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.841 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -91.99 26.17 2.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.369 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' C ' HD12 ' A' ' 12' ' ' LEU . 1.6 pp -37.03 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.945 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -41.67 163.58 0.11 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.05 44.16 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.465 1.771 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 60.1 115.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -114.38 -118.06 3.3 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.603 ' HB ' ' CB ' ' A' ' 20' ' ' TRP . 3.7 m -144.0 129.25 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.46 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.1 m -34.88 129.8 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.607 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 2.9 m 27.18 56.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 108.2 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.603 ' CB ' ' HB ' ' A' ' 17' ' ' THR . 60.8 t-105 -97.79 -61.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.049 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' HA ' ' H ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 75.2 121.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.362 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.478 HG22 ' ND1' ' A' ' 27' ' ' HIS . 27.5 p -73.76 -144.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.1 19.19 19.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.962 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 25' ' ' THR . 7.8 tt -176.82 -67.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.757 HG22 ' N ' ' A' ' 26' ' ' SER . 1.3 m -52.55 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.757 ' N ' HG22 ' A' ' 25' ' ' THR . 25.7 t 150.98 97.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.613 1.195 . . . . 0.0 109.967 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.602 ' O ' ' N ' ' A' ' 29' ' ' CYS . 19.8 m170 -92.22 32.5 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.593 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.607 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -63.87 50.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 111.008 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.837 ' HB3' HD21 ' A' ' 38' ' ' LEU . 17.9 t 176.31 171.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 108.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.637 HG23 ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -127.49 -44.74 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 110.352 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.501 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 131.8 109.41 1.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.806 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER 67.97 112.69 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.439 0.729 . . . . 0.0 109.219 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.6 t 90.06 45.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.1 m -138.76 -164.68 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 108.251 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 166.15 40.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -118.84 147.59 42.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 108.342 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.04 124.36 8.54 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.457 1.767 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.945 HD22 ' HD3' ' A' ' 13' ' ' LYS . 2.1 mp -96.94 57.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.718 ' HD2' ' H2 ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 166.83 87.95 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 111.043 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 147.56 33.83 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.452 1.764 . . . . 0.0 110.971 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.128 . . . . 0.0 111.05 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.675 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.618 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 163.48 74.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.602 ' HB ' ' CB ' ' A' ' 10' ' ' CYS . 52.5 m -144.2 -100.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.75 -100.42 0.5 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.515 1.135 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.679 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.96 -5.05 16.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.707 ' HA ' ' N ' ' A' ' 10' ' ' CYS . 6.3 p 62.67 -55.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 108.26 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.743 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -50.19 103.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 108.267 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.735 ' O ' ' CD ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 80.13 5.38 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 6' ' ' CYS . 4.9 mt-30 -136.48 -101.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.707 ' N ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -58.0 -17.08 15.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.34 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.857 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -98.5 72.99 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.88 10.5 15.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.641 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -100.45 -177.45 0.57 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.03 -167.07 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.588 1.836 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.568 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . -82.26 118.6 23.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.667 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -111.17 -97.17 2.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.544 1.153 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 18' ' ' THR . 29.0 m -162.16 175.22 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.566 ' N ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER -82.65 118.11 23.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 110.384 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.575 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 57.9 m 38.98 63.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.592 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 2.7 t90 -113.12 -76.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 107.975 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.652 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 89.57 121.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.739 ' CG2' ' CE1' ' A' ' 27' ' ' HIS . 73.0 p -75.94 -114.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.75 16.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.61 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -152.2 -71.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.649 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.0 m -75.23 -56.82 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.338 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.9 t 100.12 107.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.739 ' CE1' ' CG2' ' A' ' 22' ' ' THR . 58.8 m170 -67.8 -87.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER 44.08 37.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 8.2 t -179.26 -137.76 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 0.9 OUTLIER 166.93 -27.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.445 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.557 ' HA2' ' HG2' ' A' ' 11' ' ' LYS . . . 110.23 107.92 3.08 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.51 1.132 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.743 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 68.71 112.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 90.06 44.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.156 . . . . 0.0 110.054 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 20.8 m -135.89 -158.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.175 . . . . 0.0 108.346 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 2.6 p30 155.84 42.94 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.531 1.144 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -130.87 149.48 73.8 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 108.273 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.6 Cg_endo -74.98 131.53 14.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.811 . . . . 0.0 111.059 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.794 ' CD1' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -114.57 50.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CE2' ' O ' ' A' ' 40' ' ' PRO . 0.3 OUTLIER -133.46 165.24 38.22 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.568 ' O ' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.07 161.73 38.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.906 0 O-C-N 124.469 1.106 . . . . 0.0 111.124 179.885 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.603 ' C ' HG22 ' A' ' 2' ' ' THR . 13.9 p . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.603 HG22 ' C ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 164.87 -15.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.372 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.561 HG22 ' OE1' ' A' ' 9' ' ' GLN . 91.9 m -58.33 -104.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.489 ' N ' ' OE1' ' A' ' 9' ' ' GLN . . . -124.64 -117.99 2.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.917 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.02 13.9 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.844 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 20.0 p 54.79 -48.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.917 ' N ' ' O ' ' A' ' 5' ' ' PRO . 7.3 m -48.22 118.15 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.658 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 78.78 -24.21 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.561 ' OE1' HG22 ' A' ' 3' ' ' THR . 45.9 mt-30 -93.39 -86.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.911 ' O ' HD11 ' A' ' 38' ' ' LEU . 6.1 p -126.86 85.4 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.844 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -172.49 29.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -56.14 -11.56 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.8 ' HZ3' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -40.14 143.66 0.61 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.433 1.083 . . . . 0.0 109.381 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.501 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 45.16 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.551 1.816 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 30' ' ' THR . . . 71.29 124.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.526 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -130.37 -74.98 0.14 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.574 1.171 . . . . 0.0 111.014 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.739 HG22 ' H ' ' A' ' 18' ' ' THR . 5.1 m -158.22 -163.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 0.804 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.739 ' H ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -129.82 126.29 37.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.624 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 1.5 m 38.63 66.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 0.0 108.349 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.654 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 11.8 t-105 -139.2 -73.64 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 108.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.654 ' CG ' ' O ' ' A' ' 20' ' ' TRP . 0.0 OUTLIER 99.71 136.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.579 ' O ' ' CB ' ' A' ' 23' ' ' SER . 22.1 p -80.79 -69.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 22' ' ' THR . 0.7 OUTLIER 153.29 -18.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.586 1.178 . . . . 0.0 109.929 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -118.1 -61.37 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.8 ' CG2' ' HZ3' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -84.28 -71.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.382 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.754 ' CB ' ' O ' ' A' ' 25' ' ' THR . 60.1 m 123.47 114.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.958 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' O ' HD22 ' A' ' 38' ' ' LEU . 50.2 m170 -92.32 -95.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.718 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER 64.59 6.47 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.822 ' SG ' ' CD2' ' A' ' 38' ' ' LEU . 26.0 p 176.18 -158.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.514 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 56.0 p -138.82 -63.3 0.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.858 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . 170.52 115.56 0.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 53.93 140.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.24 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 7.3 t 85.87 -35.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 29' ' ' CYS . 15.1 p -57.41 -159.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 108.32 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 t0 179.03 66.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -178.17 127.74 0.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 108.259 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.718 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -75.01 154.84 42.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.911 HD11 ' O ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -99.21 64.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -108.22 119.85 48.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 66.39 5.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.9 ' N ' ' H ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.62 ' N ' ' HB3' ' A' ' 10' ' ' CYS . 1.5 m -75.31 -19.32 59.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.87 HG21 ' HB3' ' A' ' 9' ' ' GLN . 98.9 m -123.41 -108.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.701 ' N ' ' SG ' ' A' ' 10' ' ' CYS . . . -130.18 -96.47 0.76 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.474 ' O ' ' O ' ' A' ' 34' ' ' CYS . 18.3 Cg_endo -75.11 6.42 3.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.81 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 17.5 p 47.85 -134.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 108.308 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.774 ' C ' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER 36.8 52.64 1.04 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.354 1.034 . . . . 0.0 108.347 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.677 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 14.3 tpp180 142.4 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.87 ' HB3' HG21 ' A' ' 3' ' ' THR . 6.4 mt-30 -108.65 -81.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.723 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 1.8 m -49.68 -40.36 39.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 108.243 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.696 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -77.52 38.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.924 ' O ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -68.76 -9.14 49.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.696 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.12 -174.2 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.0 59.71 5.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.98 96.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.583 ' HA3' ' HZ3' ' A' ' 13' ' ' LYS . . . -70.51 -153.83 1.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.421 1.076 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.466 ' OG1' ' HD2' ' A' ' 27' ' ' HIS . 34.8 m -121.77 -125.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.409 0.711 . . . . 0.0 110.352 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -123.61 103.09 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.369 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 1.03 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 86.7 m 29.88 80.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.192 . . . . 0.0 108.347 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.7 ' HB3' ' CE1' ' A' ' 27' ' ' HIS . 5.1 m95 -134.19 -60.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.009 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 65.51 135.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.497 HG23 ' ND1' ' A' ' 27' ' ' HIS . 27.9 p -100.33 -127.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.423 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.419 ' N ' ' OG1' ' A' ' 22' ' ' THR . 5.5 m -106.19 -6.79 18.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.48 -76.2 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -75.41 103.67 5.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -64.03 70.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.7 ' CE1' ' HB3' ' A' ' 20' ' ' TRP . 18.2 p-80 -61.06 68.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.579 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 1.03 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -105.87 18.28 22.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.978 ' SG ' HD11 ' A' ' 38' ' ' LEU . 11.6 m -152.16 -177.71 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 108.26 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.486 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 5.0 t -136.78 -35.1 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.505 ' C ' ' SG ' ' A' ' 7' ' ' CYS . . . 135.41 115.63 1.51 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.774 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 61.47 114.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.394 0.702 . . . . 0.0 109.353 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.629 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 3.4 t 97.87 29.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.583 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.5 m -139.42 169.68 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -166.24 30.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.652 ' CB ' ' HB3' ' A' ' 28' ' ' TYR . 92.0 m -100.31 165.48 14.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 108.371 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.762 ' CA ' ' H1 ' ' A' ' 1' ' ' CYS . 18.2 Cg_endo -75.06 149.66 36.76 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.978 HD11 ' SG ' ' A' ' 29' ' ' CYS . 1.1 mt -142.75 37.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.379 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.529 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 0.6 OUTLIER -159.79 151.83 17.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.06 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.02 161.95 37.88 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.563 1.823 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.948 ' SG ' ' O ' ' A' ' 4' ' ' GLY . 5.6 t . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 10' ' ' CYS . 1.1 m -171.48 -30.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.704 ' HB ' ' O ' ' A' ' 9' ' ' GLN . 1.8 m -149.09 -85.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.948 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -99.3 -139.07 10.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' O ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo -74.95 13.85 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.959 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER 50.87 105.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 108.292 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.831 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 1.6 m 141.85 43.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 108.265 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 8.7 tpp180 144.37 -10.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.704 ' O ' ' HB ' ' A' ' 3' ' ' THR . 3.7 mt-30 -173.66 56.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.771 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER 170.31 -39.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 108.294 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.684 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -87.88 15.17 7.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.51 1.131 . . . . 0.0 109.37 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.517 ' O ' ' O ' ' A' ' 13' ' ' LYS . 4.5 pp -35.46 -35.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.612 1.195 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.655 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.44 177.46 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.03 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.455 1.766 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.87 ' HB1' HG23 ' A' ' 30' ' ' THR . . . -35.23 136.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.546 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -127.43 -86.04 0.53 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.568 HG22 ' H ' ' A' ' 18' ' ' THR . 6.0 m -157.41 -142.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.568 ' H ' HG22 ' A' ' 17' ' ' THR . 0.8 OUTLIER -119.74 123.9 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.8 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.3 m 33.41 77.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.594 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -134.39 -76.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.007 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.612 ' O ' ' HB ' ' A' ' 22' ' ' THR . 0.0 OUTLIER 93.06 125.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.612 ' HB ' ' O ' ' A' ' 21' ' ' LYS . 6.9 t 173.98 -168.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.489 ' N ' ' OG1' ' A' ' 22' ' ' THR . 0.5 OUTLIER 51.09 19.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 0.8 OUTLIER 78.07 -1.34 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 27' ' ' HIS . 27.6 m -125.64 111.52 15.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.675 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 4.0 m -51.75 78.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.649 ' N ' ' O ' ' A' ' 25' ' ' THR . 3.1 m-70 -40.69 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.587 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.8 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.5 m-85 29.51 36.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.029 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER 170.95 -167.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 108.39 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.87 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -159.11 -66.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.478 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.632 ' O ' ' CD ' ' A' ' 32' ' ' LYS . . . 167.58 116.39 0.36 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.714 ' H ' ' CA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 43.97 24.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.457 ' N ' ' C ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -153.69 51.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 1.029 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 20.3 p -165.31 -143.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 108.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 153.86 39.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 109.235 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.959 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -128.51 161.22 58.29 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.28 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.782 ' CA ' ' H1 ' ' A' ' 1' ' ' CYS . 17.9 Cg_endo -75.05 145.87 31.78 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.721 ' H ' ' CA ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -124.13 63.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.7 116.88 2.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 3.5 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.764 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 1.1 m -153.97 -4.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.799 ' N ' ' HB2' ' A' ' 10' ' ' CYS . 1.2 m -170.78 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.552 1.157 . . . . 0.0 110.485 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.636 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -136.01 -106.27 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.642 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.01 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.939 ' HA ' ' HB3' ' A' ' 10' ' ' CYS . 1.7 p 64.95 -53.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.821 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -51.02 75.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 108.292 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.759 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER 109.33 -15.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.284 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.942 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 12.4 mt-30 -148.06 72.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.261 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.942 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER 132.66 -12.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.213 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.821 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -107.43 22.97 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HG ' ' CE ' ' A' ' 13' ' ' LYS . 3.0 pp -36.13 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.737 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.76 156.1 0.46 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.686 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.01 31.26 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.432 1.753 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 84.55 151.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' THR . . . 174.95 86.85 0.06 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.442 1.089 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.798 HG22 ' H ' ' A' ' 18' ' ' THR . 21.1 m 45.19 -172.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 110.432 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.798 ' H ' HG22 ' A' ' 17' ' ' THR . 5.8 t -109.87 7.74 24.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.475 1.109 . . . . 0.0 110.445 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.786 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.4 m 173.5 77.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.346 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.631 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -118.7 -68.75 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.047 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.573 ' N ' ' HD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 79.63 124.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.451 ' CG2' ' CD2' ' A' ' 27' ' ' HIS . 52.2 p -84.43 -119.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.79 15.14 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.081 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.81 -71.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.8 OUTLIER -56.55 -51.92 66.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 10.1 m 83.56 92.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.087 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.733 ' C ' HD23 ' A' ' 38' ' ' LEU . 6.6 m-70 -65.09 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.571 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.786 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER 66.3 48.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.964 ' CB ' HD21 ' A' ' 38' ' ' LEU . 1.4 t 179.62 167.21 1.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 108.248 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.615 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 22.5 m -132.59 -58.38 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.635 1.21 . . . . 0.0 110.44 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.716 ' O ' ' HB3' ' A' ' 32' ' ' LYS . . . 152.89 111.68 0.47 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.615 1.197 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.716 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 82.65 -69.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.64 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 30.0 t -67.3 -98.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 110.069 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.761 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 27.2 p 23.2 -130.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 108.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.761 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 23.2 t70 124.64 47.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -138.16 159.23 69.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 108.335 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.688 ' CB ' ' N ' ' A' ' 1' ' ' CYS . 18.1 Cg_endo -75.1 145.31 30.97 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.964 HD21 ' CB ' ' A' ' 29' ' ' CYS . 2.1 mp -125.3 48.99 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 0.3 OUTLIER 167.81 140.67 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.579 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 18.1 Cg_endo -75.1 156.23 42.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 111.028 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 1.105 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 1.022 HG21 HD23 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -162.36 -20.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.351 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.9 ' H ' ' HB2' ' A' ' 10' ' ' CYS . 7.6 m -152.27 -82.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.508 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.02 -88.9 0.08 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.538 1.148 . . . . 0.0 111.033 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.528 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo -74.97 -18.49 18.78 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.882 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.5 OUTLIER 73.73 -55.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 108.329 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -55.1 74.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 108.332 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.767 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 6.7 tpm_? 123.47 -16.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.598 ' HB3' HG21 ' A' ' 3' ' ' THR . 27.2 mm-40 -134.15 -92.16 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.351 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 1.105 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -44.09 -21.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 108.291 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.844 ' HZ2' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -99.68 43.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.022 HD23 HG21 ' A' ' 2' ' ' THR . 0.6 OUTLIER -56.24 -23.58 36.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.855 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -68.98 164.78 44.34 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.646 ' O ' ' C ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.87 147.27 34.3 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 0.0 111.017 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.646 ' C ' ' O ' ' A' ' 14' ' ' PRO . . . -18.17 108.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.522 ' HA3' ' HB2' ' A' ' 27' ' ' HIS . . . -95.85 -106.05 2.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.562 1.164 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.677 HG22 ' H ' ' A' ' 18' ' ' THR . 11.8 m -157.35 -177.69 6.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.677 ' H ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -86.57 109.37 19.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.988 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 20.2 m 27.81 74.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 108.239 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.612 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 5.5 t-105 -123.82 -60.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 107.997 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 79.75 118.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.701 HG23 ' CG ' ' A' ' 27' ' ' HIS . 41.2 p -79.56 -71.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -174.97 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.44 1.087 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.38 -40.15 2.71 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.514 1.134 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.811 HG23 ' HZ3' ' A' ' 13' ' ' LYS . 1.7 m -82.22 -32.94 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.483 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.663 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 2.9 m 57.22 72.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.701 ' CG ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -74.06 93.47 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.572 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.988 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -118.08 9.25 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.951 ' SG ' HD11 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -146.93 -169.82 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.322 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 m -135.64 -14.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.573 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . 98.28 115.23 3.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.769 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 80.46 107.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.445 ' HB2' ' CD ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER 80.92 53.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.995 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.562 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.3 m -148.39 175.72 10.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 108.356 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -168.94 43.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.934 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 5.9 m -117.46 148.62 43.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 108.299 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.844 ' HA ' ' HA ' ' A' ' 1' ' ' CYS . 18.6 Cg_endo -74.99 145.15 31.12 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.951 HD11 ' SG ' ' A' ' 29' ' ' CYS . 1.9 mp -133.11 63.86 1.63 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.645 ' CD1' ' OG1' ' A' ' 2' ' ' THR . 0.1 OUTLIER -139.54 162.84 49.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.579 1.831 . . . . 0.0 111.046 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.906 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.896 ' SG ' ' O ' ' A' ' 4' ' ' GLY . 1.4 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.715 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 10.6 m -69.52 -67.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.434 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.651 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 47.0 m -71.07 -95.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.579 1.174 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.896 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -127.42 -99.25 1.03 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.557 1.16 . . . . 0.0 111.057 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.773 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.6 Cg_endo -74.88 -0.41 9.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.094 ' HB2' HD12 ' A' ' 38' ' ' LEU . 8.5 p 68.17 -56.82 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 108.362 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.71 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.3 m -56.77 97.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.705 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 4.5 tpp180 103.81 5.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.529 ' HB3' ' CB ' ' A' ' 3' ' ' THR . 77.6 mt-30 -150.09 -81.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.933 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -70.23 -19.45 63.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.427 1.08 . . . . 0.0 108.283 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 1.013 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -84.56 26.32 0.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 0.4 OUTLIER -73.45 4.66 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.928 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -70.25 -169.83 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.667 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.07 8.75 2.3 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 73.14 124.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -138.67 -153.28 6.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.703 HG21 ' CE3' ' A' ' 20' ' ' TRP . 0.3 OUTLIER -78.49 149.27 33.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 0.753 . . . . 0.0 110.443 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.406 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 1.5 t -46.17 -22.76 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.78 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 19.5 m -162.86 66.38 0.2 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 108.314 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.703 ' CE3' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -94.78 -73.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.057 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.605 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 1.8 tptm 71.1 119.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.457 ' CG2' ' CE1' ' A' ' 27' ' ' HIS . 40.3 p -101.17 -141.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.99 10.01 18.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.34 -40.37 1.97 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.092 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.34 157.12 43.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.449 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 1.28 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -86.63 75.03 9.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.973 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.644 ' C ' ' CD2' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -45.13 -17.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.615 1.197 . . . . 0.0 109.62 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 1.024 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 1.5 m-85 -31.17 87.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.867 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER 158.15 -172.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.604 1.19 . . . . 0.0 108.282 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.901 HG22 ' HB3' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -148.77 -61.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.591 ' O ' ' CD ' ' A' ' 32' ' ' LYS . . . 156.87 114.75 0.45 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.591 ' CD ' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 40.26 28.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 0.713 . . . . 0.0 109.333 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.47 ' N ' ' C ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -159.41 47.11 0.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.947 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.901 ' HB3' HG22 ' A' ' 30' ' ' THR . 23.9 p -155.48 -153.08 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 169.67 35.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 1.024 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 36.5 m -112.67 169.93 5.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.681 ' HD2' ' HB3' ' A' ' 36' ' ' CYS . 18.5 Cg_endo -74.95 156.56 43.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.28 HD23 ' O ' ' A' ' 26' ' ' SER . 22.0 mt -147.02 49.99 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CD2' ' O ' ' A' ' 40' ' ' PRO . 2.2 p90 -146.51 155.33 49.36 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.478 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -75.05 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.387 1.73 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.086 0 O-C-N 124.599 1.187 . . . . 0.0 110.9 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 38' ' ' LEU . 96.0 m -118.73 -9.36 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.752 HG21 ' HB3' ' A' ' 9' ' ' GLN . 20.3 m -156.59 -100.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.357 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.702 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -100.72 -117.25 4.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.054 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 18.0 Cg_endo -74.99 -23.34 13.92 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER 88.4 110.97 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.822 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.6 m 135.71 52.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.658 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 144.38 -14.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.752 ' HB3' HG21 ' A' ' 3' ' ' THR . 5.8 mt-30 -156.16 -41.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.222 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.919 ' O ' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -98.46 18.85 15.61 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 108.346 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.822 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -129.77 0.5 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.336 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.599 ' C ' ' O ' ' A' ' 11' ' ' LYS . 3.2 pp -24.05 -42.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 1.016 ' HD3' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -48.8 176.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.498 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.04 151.71 39.67 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . -48.07 142.28 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.709 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -164.56 69.83 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.562 HG22 ' H ' ' A' ' 18' ' ' THR . 18.9 m 32.59 -134.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 0.76 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.562 ' H ' HG22 ' A' ' 17' ' ' THR . 1.7 m -140.98 142.63 34.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.396 1.06 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.658 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 61.6 m 40.43 69.92 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 108.351 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.551 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 3.4 t-105 -125.74 -75.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 107.983 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 92.55 128.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.598 ' CG2' ' CE1' ' A' ' 27' ' ' HIS . 37.9 p -90.15 -2.47 58.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 22' ' ' THR . 4.4 t 91.62 -30.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 tt -108.76 -64.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 109.321 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.755 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -73.77 -77.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.755 ' CB ' ' O ' ' A' ' 25' ' ' THR . 73.9 m 123.73 75.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.709 ' CG ' ' HA3' ' A' ' 16' ' ' GLY . 42.8 m170 -47.04 -73.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.557 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.658 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.4 m-85 30.75 49.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.416 1.072 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.36 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.9 OUTLIER 155.65 -175.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.411 1.07 . . . . 0.0 108.33 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -152.33 -40.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.557 ' C ' ' CD ' ' A' ' 32' ' ' LYS . . . 142.62 119.34 1.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.672 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 38.66 74.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.242 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.6 m 153.47 36.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 1.36 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 7.3 p -150.82 -156.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.351 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 1.2 t0 170.36 38.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.91 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -126.71 154.1 75.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.402 1.064 . . . . 0.0 108.374 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.684 ' HB3' ' H1 ' ' A' ' 1' ' ' CYS . 18.3 Cg_endo -74.95 136.34 20.37 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.544 1.813 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.016 HD13 ' HD3' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -124.47 68.95 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 69.0 t80 -164.27 147.38 7.63 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.537 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -74.87 101.25 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 111.026 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.087 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 1.245 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.728 HG22 ' C ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 154.89 -9.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.452 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.639 ' OG1' ' CA ' ' A' ' 10' ' ' CYS . 46.8 p -61.12 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.505 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.502 ' N ' ' OG1' ' A' ' 3' ' ' THR . . . -94.8 -147.82 23.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.705 ' O ' ' C ' ' A' ' 6' ' ' CYS . 18.1 Cg_endo -75.05 48.84 2.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.84 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER 13.91 104.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 108.242 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.818 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER 154.63 45.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.22 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.633 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 3.3 tpt180 144.98 -9.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -146.22 -68.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 1.245 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -60.77 -41.14 94.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.329 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.785 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -83.96 56.8 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.637 1.211 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -6.81 37.72 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.971 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -86.38 166.27 28.94 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.543 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.04 129.48 12.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.817 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 30' ' ' THR . . . -39.85 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.513 ' O ' ' OG1' ' A' ' 17' ' ' THR . . . -100.07 -61.93 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 16' ' ' GLY . 91.4 m -161.86 157.53 24.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -82.45 111.5 18.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.875 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 4.5 m 46.97 62.11 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.382 1.051 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.565 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 2.2 t-105 -117.87 -59.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 26' ' ' SER . 1.2 tptp 76.24 119.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.532 HG22 ' CD2' ' A' ' 27' ' ' HIS . 46.8 p -73.57 -131.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.87 20.92 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.968 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -165.63 -40.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.662 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -92.29 -64.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.662 ' CB ' ' O ' ' A' ' 25' ' ' THR . 4.4 m 99.09 76.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.934 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CD2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.66 91.19 7.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.616 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.875 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -118.26 50.4 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.771 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -171.71 -152.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.508 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 6.3 t -160.56 -38.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 127.56 117.28 2.05 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.734 ' H ' ' CA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 69.99 -59.76 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 0.722 . . . . 0.0 109.251 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 3.4 p -90.61 75.62 6.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.017 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.818 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 10.0 p 176.98 174.6 0.41 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.426 1.079 . . . . 0.0 108.278 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -173.64 34.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.84 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -103.79 153.09 38.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.0 Cg_endo -75.06 123.53 7.92 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.54 1.81 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.971 HD22 ' HD3' ' A' ' 13' ' ' LYS . 1.3 mp -97.06 51.04 1.1 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.618 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.2 OUTLIER 164.24 -54.17 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.97 156.78 43.15 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.455 1.766 . . . . 0.0 111.075 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.856 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.765 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -172.46 27.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.396 1.06 . . . . 0.0 110.419 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.619 ' HB ' ' C ' ' A' ' 9' ' ' GLN . 84.4 m -88.01 -95.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -126.72 -119.93 2.32 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.703 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo -75.08 12.03 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.159 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 2.8 p 67.48 -56.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.485 1.116 . . . . 0.0 108.289 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 3.8 m -50.79 86.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 108.259 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.681 ' HB3' ' O ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER 91.56 -6.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.206 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 1.057 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 8.3 mt-30 -152.84 79.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 1.094 ' CB ' ' HA ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER 135.76 -56.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.25 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.943 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -70.93 31.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.643 ' H ' ' C ' ' A' ' 10' ' ' CYS . 2.9 pp -49.5 -19.03 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.994 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -75.48 179.39 1.43 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.721 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -74.97 34.33 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.431 1.753 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.935 ' HB1' ' HA ' ' A' ' 30' ' ' THR . . . 35.0 -154.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.59 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . 165.75 -69.34 0.19 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.947 ' O ' HG23 ' A' ' 30' ' ' THR . 2.4 m -123.13 -138.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.354 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.02 1.94 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.733 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 170.57 40.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.405 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -123.34 99.82 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.847 ' O ' ' CB ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -82.7 128.28 34.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.847 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 10.5 t 126.78 -143.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.784 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER 57.77 18.12 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.971 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.784 ' CB ' ' O ' ' A' ' 23' ' ' SER . 48.2 tp 121.51 -7.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.595 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER 159.79 151.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.369 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.634 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 1.8 m -40.3 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.374 1.046 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.59 ' CD2' ' HA3' ' A' ' 16' ' ' GLY . 1.2 m-70 -106.14 38.68 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.729 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.733 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -78.36 32.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.95 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 4.2 t -170.32 175.69 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 108.278 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.947 HG23 ' O ' ' A' ' 17' ' ' THR . 0.6 OUTLIER -126.86 -34.89 2.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.478 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 115.67 109.79 2.7 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.568 1.167 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.607 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER 84.59 -54.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.441 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 2.3 m -109.67 83.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.072 . . . . 0.0 110.082 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 31.9 p -166.96 -151.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 1.2 m-20 154.0 69.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 109.281 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -162.25 148.4 10.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 108.241 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.612 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -75.02 138.57 23.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.994 HD22 ' HD3' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -116.83 67.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CZ ' ' HA2' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -158.14 131.46 4.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 101.13 1.43 Allowed 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.503 ' HA2' ' CZ ' ' A' ' 39' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 1.031 ' H1 ' ' HB3' ' A' ' 37' ' ' PRO . 2.5 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.643 ' CA ' ' HB2' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -162.77 -6.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.613 ' N ' ' HB2' ' A' ' 10' ' ' CYS . 98.1 m -158.07 -90.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 110.463 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.647 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -125.03 -111.01 1.84 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.56 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.7 Cg_endo -74.81 3.06 5.85 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.494 1.786 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.883 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER 68.18 -57.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.851 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -50.18 107.45 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.27 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.712 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 69.6 28.0 4.64 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.092 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 8' ' ' ARG . 32.0 mm-40 -157.05 -85.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.883 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -93.1 34.17 1.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.802 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -141.62 28.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.605 1.191 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -45.38 -19.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.817 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -40.03 162.65 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.02 33.04 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 59.07 111.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.721 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -102.21 -89.17 2.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.064 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.841 ' HB ' ' HE2' ' A' ' 27' ' ' HIS . 21.0 m -157.46 -110.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.386 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.613 ' N ' HG22 ' A' ' 17' ' ' THR . 1.2 m -144.98 108.44 4.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.926 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 95.2 m 41.24 87.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.73 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t90 -141.88 -50.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 12.6 tptm 72.08 130.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.483 ' O ' ' O ' ' A' ' 25' ' ' THR . 3.4 t -177.78 -177.03 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.543 ' O ' ' HB3' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 50.87 25.07 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.119 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.543 ' HB3' ' O ' ' A' ' 23' ' ' SER . 2.8 tt 73.5 5.55 4.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.635 1.209 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -129.06 130.47 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.502 ' CB ' ' HA ' ' A' ' 38' ' ' LEU . 2.3 m -60.62 71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.841 ' HE2' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -44.41 -23.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.576 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.926 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.8 m-85 -21.42 77.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.787 ' N ' ' O ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER 156.43 -167.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.3 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.687 ' CA ' ' HZ3' ' A' ' 11' ' ' LYS . 1.6 t -153.86 -51.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.397 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 32' ' ' LYS . . . 138.34 113.18 1.14 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.691 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 74.2 -53.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.486 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 46.9 p -99.14 74.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.851 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 17.4 p -170.79 -165.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 108.313 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 52.1 t0 168.36 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.602 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 62.6 m -115.79 158.32 42.39 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 108.329 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 1.031 ' HB3' ' H1 ' ' A' ' 1' ' ' CYS . 18.1 Cg_endo -75.06 144.58 30.2 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.877 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 2.3 mp -135.27 60.15 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -116.4 145.4 35.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.068 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.98 133.36 16.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.622 ' O ' ' HB ' ' A' ' 2' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.668 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER 159.13 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.688 HG21 ' HB3' ' A' ' 9' ' ' GLN . 2.6 m -50.55 -131.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -101.33 -111.5 3.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.919 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.0 21.51 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 19.7 p 51.88 -59.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 108.394 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.291 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 1.4 m -39.97 107.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 108.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.567 ' HG2' ' C ' ' A' ' 7' ' ' CYS . 4.5 mmm180 89.51 -14.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.945 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 3.9 mm-40 -147.15 70.01 1.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.242 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.945 ' SG ' ' O ' ' A' ' 9' ' ' GLN . 63.0 m 140.32 -58.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.857 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -50.64 -3.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.708 ' H ' ' C ' ' A' ' 10' ' ' CYS . 1.3 pp -36.44 -25.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 1.012 ' NZ ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -52.52 172.44 0.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.687 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.98 44.79 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.601 1.843 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 57.53 148.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.559 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -145.48 -83.75 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 ' H ' ' A' ' 18' ' ' THR . 3.1 m -156.88 -145.36 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.495 ' H ' HG22 ' A' ' 17' ' ' THR . 1.8 t -124.1 5.84 8.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.364 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.715 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 164.48 60.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 108.274 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.656 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 42.3 t-105 -111.01 -71.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 0.0 OUTLIER 74.94 119.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 23' ' ' SER . 63.9 p -78.08 -111.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 110.482 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' ' OG1' ' A' ' 22' ' ' THR . 1.5 m -147.86 17.0 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.077 . . . . 0.0 110.002 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.12 -71.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.012 HG23 ' NZ ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -61.06 -47.16 87.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.581 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 0.4 OUTLIER 71.56 88.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.037 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.899 ' O ' HD22 ' A' ' 38' ' ' LEU . 19.4 m-70 -58.38 -104.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.657 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.715 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER 65.41 33.73 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.997 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 11.5 t 174.92 169.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 108.274 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.551 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -129.28 -76.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.672 ' HA2' ' HG2' ' A' ' 11' ' ' LYS . . . 178.5 110.72 0.28 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.764 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.0 OUTLIER 66.81 95.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.474 0.75 . . . . 0.0 109.326 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.764 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 58.0 m 123.23 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.059 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 1.291 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 27.6 p 28.57 -141.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 108.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 2.2 m-20 149.0 58.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.62 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -167.27 148.48 5.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.269 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.605 ' C ' HD23 ' A' ' 38' ' ' LEU . 18.3 Cg_endo -75.04 140.44 25.34 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.57 1.826 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.944 HD21 ' HB2' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -104.21 45.81 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -163.56 150.08 10.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.88 60.68 5.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.414 1.744 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.13 . . . . 0.0 111.058 -179.982 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.853 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -172.61 64.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' A' ' 9' ' ' GLN . 8.1 m -133.68 -95.38 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.477 ' N ' HG22 ' A' ' 3' ' ' THR . . . -130.66 -115.58 1.75 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.743 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -75.04 7.64 2.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.062 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 13.8 p 62.4 -54.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.072 . . . . 0.0 108.36 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.793 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -49.6 82.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 108.28 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.711 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 2.8 mmm180 99.7 -13.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 1.013 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 3.9 mt-30 -146.35 75.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 2.7 t 138.3 -55.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.239 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.876 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -69.54 37.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.612 ' H ' ' C ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -48.38 -14.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.831 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -59.23 158.84 17.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.896 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.04 48.91 2.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 71.56 119.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' CA ' ' CG ' ' A' ' 27' ' ' HIS . . . -114.84 -100.72 2.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.393 1.058 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 29' ' ' CYS . 75.6 m -145.5 -119.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 19' ' ' CYS . 4.3 m -161.24 116.94 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 39.7 m 37.79 58.87 1.36 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 108.344 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.598 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 3.6 t-105 -128.16 -71.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 107.94 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.65 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 89.2 122.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.542 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 73.1 p -77.38 179.68 6.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.173 . . . . 0.0 110.41 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.98 ' C ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -88.91 12.65 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.98 HD13 ' C ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -130.48 -76.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.753 HG22 ' N ' ' A' ' 26' ' ' SER . 1.6 m -93.03 -100.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.454 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.753 ' N ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER 176.43 115.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CG ' ' CG2' ' A' ' 22' ' ' THR . 36.9 m170 -100.92 30.8 3.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -68.78 44.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.018 ' HB3' HD21 ' A' ' 38' ' ' LEU . 16.2 t 173.88 167.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 108.258 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.563 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -122.07 -43.55 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.718 ' HA2' ' HZ2' ' A' ' 11' ' ' LYS . . . 128.42 107.6 1.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.793 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 18.2 tptp 79.19 107.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.805 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.7 t 87.17 52.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 28.2 m -134.7 -168.82 2.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 5' ' ' PRO . 40.4 t0 173.09 40.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.459 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -131.56 141.3 41.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.05 137.14 21.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.018 HD21 ' HB3' ' A' ' 29' ' ' CYS . 2.1 mp -107.7 56.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.556 ' C ' ' CD1' ' A' ' 39' ' ' TYR . 1.6 p90 -139.46 140.65 26.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 39' ' ' TYR . 18.8 Cg_endo -74.96 134.14 17.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.773 . . . . 0.0 111.072 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 -179.951 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.773 ' N ' ' HB2' ' A' ' 39' ' ' TYR 0.853 0.0 OUTLIER . . . . . 3 CA--C 0.845 -26.162 1 CA-C-O 107.095 -6.193 . . . . 2.6000000000000001 107.895 . . . . . . . . . 5 3 . 1 . 022 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.452 ' C ' ' SG ' ' A' ' 1' ' ' CYS 0.82 0.5 OUTLIER -173.66 1.19 0.01 OUTLIER 'General case' 3 N--CA 0.821 -31.921 2 O-C-N 140.009 10.818 . . . . 3.1099999999999999 126.232 -179.942 . . . . . . . . 6 4 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.765 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 90.4 m -104.67 -94.81 0.34 Allowed 'General case' 1 C--N 1.014 -13.992 3 O-C-N 103.89 -11.756 . . . . 1.0800000000000001 110.488 -179.997 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' HA3' ' HD3' ' A' ' 5' ' ' PRO . . . -122.44 -116.1 2.33 Favored Glycine 0 C--N 1.286 -2.247 0 N-CA-C 111.86 -0.496 . . . . 0.76000000000000001 111.86 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo -73.95 8.47 2.02 Favored 'Trans proline' 0 C--O 1.155 -3.633 0 O-C-N 124.887 1.993 . . . . 0.70999999999999996 111.406 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.101 ' HA ' ' HB3' ' A' ' 10' ' ' CYS . 3.9 p 57.92 -60.2 0.03 OUTLIER 'General case' 1 C--O 0.684 -28.7 0 CA-C-O 128.136 3.827 . . . . 1.5800000000000001 107.501 -179.91 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.914 ' SG ' ' CB ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -45.44 80.43 0.0 OUTLIER 'General case' 2 C--N 0.972 -15.812 3 O-C-N 90.762 -19.961 . . . . 0.93999999999999995 108.38 179.921 . . . . . . . . 5 4 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.746 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 27.7 tpt180 111.38 -11.11 0.01 OUTLIER 'General case' 0 C--N 1.261 -3.275 0 O-C-N 120.947 -1.095 . . . . 3.2999999999999998 110.755 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.478 ' HB3' HG21 ' A' ' 3' ' ' THR . 2.6 mt-30 -138.98 -63.32 0.53 Allowed 'General case' 1 C--O 0.64 -31.006 1 CA-C-O 130.597 4.999 . . . . 2.3100000000000001 111.931 -179.956 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 1.101 ' HB3' ' HA ' ' A' ' 6' ' ' CYS . 21.3 t -88.37 -13.73 39.88 Favored 'General case' 2 C--N 0.917 -18.233 3 O-C-N 86.289 -22.757 . . . . 1.3899999999999999 111.133 -179.992 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 1.442 ' NZ ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -101.22 33.6 2.83 Favored 'General case' 1 C--N 1.231 -4.575 0 O-C-N 119.44 -2.037 . . . . 2.21 109.456 179.976 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 pp -53.49 -17.75 2.25 Favored 'General case' 0 C--N 1.26 -3.321 0 N-CA-C 109.408 -0.59 . . . . 1.02 109.408 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 1.079 ' HE2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.65 167.21 1.92 Allowed Pre-proline 0 C--N 1.292 -1.907 0 CA-C-N 115.812 -0.631 . . . . 2.1000000000000001 109.839 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.702 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -75.21 55.79 4.17 Favored 'Trans proline' 1 C--O 0.919 -15.445 0 CA-C-O 126.609 2.67 . . . . 1.3899999999999999 111.895 179.947 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.702 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 45.92 131.52 0.0 OUTLIER 'General case' 2 C--N 1.043 -12.72 2 O-C-N 106.777 -9.952 . . . . 0.93999999999999995 110.225 179.998 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.618 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -134.77 -93.65 0.46 Allowed Glycine 2 C--O 0.734 -31.134 0 CA-C-O 123.841 1.8 . . . . 1.5 112.165 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.781 HG22 ' H ' ' A' ' 18' ' ' THR . 35.6 m -147.48 -171.38 3.78 Favored 'General case' 2 C--N 1.023 -13.617 3 O-C-N 98.627 -14.455 . . . . 1.05 111.108 179.943 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.781 ' H ' HG22 ' A' ' 17' ' ' THR . 0.7 OUTLIER -102.05 109.35 21.04 Favored 'General case' 2 C--O 0.849 -19.976 0 CA-C-O 128.352 3.929 . . . . 1.3700000000000001 111.005 -179.942 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.881 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 96.6 m 53.67 65.46 1.51 Allowed 'General case' 1 C--N 0.994 -14.854 3 O-C-N 100.752 -13.718 . . . . 0.78000000000000003 108.252 179.96 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.506 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 2.8 t-105 -122.69 -62.12 1.39 Allowed 'General case' 1 C--O 1.006 -11.736 0 CA-C-O 118.052 -0.975 . . . . 3.1800000000000002 109.354 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 1.495 ' NZ ' ' CD ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 73.88 127.09 0.04 OUTLIER 'General case' 1 C--N 1.213 -5.34 0 CA-C-N 123.93 3.059 . . . . 3.0299999999999998 113.478 179.965 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.542 HG21 ' CE1' ' A' ' 27' ' ' HIS 0.448 13.0 p -93.15 -133.18 0.15 Allowed 'General case' 2 C--O 0.503 -38.215 0 N-CA-C 120.17 3.396 . . . . 1.6799999999999999 120.17 -179.978 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.398 0.5 OUTLIER -128.04 1.42 5.9 Favored 'General case' 4 C--N 0.826 -22.17 4 O-C-N 90.638 -20.039 . . . . 2.7200000000000002 116.178 -179.907 . . . . . . . . 5 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.699 ' C ' ' HG ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -143.28 -51.42 0.35 Allowed 'General case' 3 C--N 0.955 -16.556 1 O-C-N 110.983 -7.323 . . . . 2.9100000000000001 112.885 -179.915 . . . . . . . . 5 4 . 1 . 022 nuclear build full ' A' A ' 25' ' ' THR . . . . . 1.224 ' O ' ' CA ' ' A' ' 26' ' ' SER . 1.2 m -103.95 -42.08 5.68 Favored 'General case' 2 C--O 0.52 -37.34 2 CA-C-O 145.357 12.027 . . . . 2.0099999999999998 111.893 179.997 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . 1.224 ' CA ' ' O ' ' A' ' 25' ' ' THR . 3.3 m 94.49 91.61 0.01 OUTLIER 'General case' 1 C--N 0.818 -22.523 3 O-C-N 58.904 -39.873 . . . . 1.3700000000000001 109.944 -179.934 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.618 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . 7.4 m170 -76.47 -16.53 59.65 Favored 'General case' 2 C--O 0.534 -36.563 1 CA-C-O 136.705 7.907 . . . . 1.96 109.846 -179.969 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 1.432 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -18.94 43.4 0.0 OUTLIER 'General case' 2 C--N 0.89 -19.407 3 O-C-N 70.976 -32.327 . . . . 1.4199999999999999 111.023 -179.931 . . . . . . . . 5 4 . 1 . 022 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.013 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER 176.68 -169.41 0.06 Allowed 'General case' 1 C--O 1.149 -4.207 0 C-N-CA 123.542 0.737 . . . . 1.03 109.057 179.993 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 30' ' ' THR . . . . . 1.174 ' CG2' ' CA ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -146.79 -42.57 0.19 Allowed 'General case' 1 C--O 1.142 -4.56 0 CA-C-O 122.073 0.939 . . . . 1.46 110.805 179.949 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.724 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 133.07 113.29 1.42 Allowed Glycine 1 C--N 1.239 -4.821 0 O-C-N 120.276 -1.515 . . . . 0.66000000000000003 111.048 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 1.468 ' CB ' ' CE ' ' A' ' 32' ' ' LYS . 4.5 tmtt? 74.93 36.11 0.57 Allowed 'General case' 2 C--O 0.378 -44.769 1 CA-C-O 154.876 16.56 . . . . 3.8300000000000001 111.975 179.93 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' SER . . . . . 1.213 ' CA ' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 165.68 49.89 0.0 OUTLIER 'General case' 3 C--N 0.811 -22.823 3 O-C-N 38.205 -52.809 . . . . 1.6499999999999999 112.933 179.968 . . . . . . . . 5 4 . 1 . 022 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 1.19 ' SG ' ' CA ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -137.03 -164.9 1.66 Allowed 'General case' 2 C--N 1.078 -11.238 1 O-C-N 109.574 -8.204 . . . . 1.1899999999999999 108.228 179.976 . . . . . . . . 5 4 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.568 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 11.2 t0 173.16 44.65 0.0 OUTLIER 'General case' 0 C--O 1.156 -3.866 0 CA-C-O 122.878 1.323 . . . . 2.3399999999999999 109.883 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 1.1 m -131.39 148.19 69.14 Favored Pre-proline 1 C--N 1.229 -4.634 0 O-C-N 120.387 -1.446 . . . . 0.66000000000000003 108.429 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.03 138.47 23.01 Favored 'Trans proline' 0 C--O 1.184 -2.193 0 C-N-CA 121.489 1.459 . . . . 0.75 111.847 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.013 HD21 ' HB2' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -115.82 60.17 0.72 Allowed 'General case' 0 C--O 1.189 -2.086 0 N-CA-C 108.814 -0.81 . . . . 1.0 108.814 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 1.244 ' CD1' ' HD2' ' A' ' 40' ' ' PRO 0.262 30.5 t80 -161.79 146.82 10.19 Favored Pre-proline 2 C--O 0.963 -14.021 0 N-CA-C 115.269 1.581 . . . . 4.2699999999999996 115.269 -179.996 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 1.244 ' HD2' ' CD1' ' A' ' 39' ' ' TYR 0.435 18.9 Cg_endo -81.92 114.05 2.54 Favored 'Trans proline' 4 C--O 0.464 -38.18 1 CA-C-O 131.301 4.625 . . . . 2.5899999999999999 121.217 -179.987 . . . . . . . . 5 3 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 1.294 ' C ' ' N ' ' A' ' 41' ' ' GLY . . . . . . . . 4 C--O 0.296 -58.517 5 O-C-N 79.263 -27.148 . . . . 3.8399999999999999 154.37 179.932 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 36.8 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.458 ' H ' ' CB ' ' A' ' 10' ' ' CYS . 25.7 m -70.36 -52.76 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.21 -108.46 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 1.007 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.91 4.36 4.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.781 ' C ' ' HB3' ' A' ' 11' ' ' LYS . 5.9 p 44.91 -62.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 108.335 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 1.007 ' N ' ' O ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -37.74 104.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 1.7 ptt85 84.16 -42.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.391 1.057 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 6' ' ' CYS . 2.3 mt-30 -77.84 -83.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 1.033 ' O ' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -108.83 64.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.781 ' HB3' ' C ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -166.27 92.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 pp -108.42 1.28 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.745 ' CD ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.35 160.13 0.32 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.05 47.81 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . 50.65 99.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.544 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -106.76 -101.81 2.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 18' ' ' THR . 13.1 m -156.93 -179.24 8.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' THR . 3.2 m -83.69 127.71 33.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 0.0 110.356 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.597 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 93.6 m 40.86 57.33 2.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.537 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -106.36 -70.92 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.573 1.171 . . . . 0.0 108.0 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 69.74 130.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 23' ' ' SER . 33.1 p -91.03 -73.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 22' ' ' THR . 1.2 m 155.18 40.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.74 -42.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.698 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -115.95 -63.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.404 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.698 ' CB ' ' O ' ' A' ' 25' ' ' THR . 5.0 t 105.07 109.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.655 ' O ' HD22 ' A' ' 38' ' ' LEU . 6.3 m-70 -80.22 -58.08 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.586 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.87 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 2.1 m-85 20.91 52.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.87 ' SG ' ' O ' ' A' ' 28' ' ' TYR . 16.6 m 165.24 -123.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 108.323 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.613 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER 157.7 -18.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.742 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 92.87 103.44 1.56 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.753 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.9 tptt 138.51 -96.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -113.37 82.25 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.474 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 17.4 m -129.31 -172.57 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -174.78 35.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 9.5 m -122.16 136.8 26.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 108.23 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.587 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -74.99 117.58 4.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.033 HD11 ' O ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -96.02 71.74 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.509 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 2.9 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.539 ' HG1' ' CB ' ' A' ' 10' ' ' CYS . 24.5 m -56.53 -123.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.37 -107.55 3.04 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.836 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.07 5.23 4.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.943 ' SG ' HD11 ' A' ' 38' ' ' LEU . 13.2 p 57.72 -48.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 108.253 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.879 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.3 m -45.74 100.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.077 . . . . 0.0 108.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.552 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER 88.37 -23.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.599 1.187 . . . . 0.0 110.263 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 6' ' ' CYS . 7.5 mm-40 -91.4 -91.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.749 ' H ' ' HA ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -113.33 64.35 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.879 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -149.63 28.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 13' ' ' LYS . 2.9 pp -55.58 -11.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 1.116 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.03 160.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.98 36.79 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.433 1.754 . . . . 0.0 110.997 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HB1' ' OG1' ' A' ' 30' ' ' THR . . . 60.53 133.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.655 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -144.55 -125.44 1.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 29' ' ' CYS . 18.9 m -122.37 165.6 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 110.44 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.1 m -82.63 138.19 34.25 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.566 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 4.0 m 36.56 54.99 1.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.481 1.113 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.483 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 15.2 t-105 -113.6 -64.9 1.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.546 1.154 . . . . 0.0 107.948 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 2.5 tptm 71.92 117.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.614 ' O ' ' CB ' ' A' ' 23' ' ' SER . 44.6 p -75.73 -15.12 60.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.614 ' CB ' ' O ' ' A' ' 22' ' ' THR . 2.3 t 94.83 -10.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.944 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -115.95 -71.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.616 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -90.5 -47.42 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.616 ' CB ' ' O ' ' A' ' 25' ' ' THR . 2.4 m 95.69 133.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.771 ' O ' ' N ' ' A' ' 29' ' ' CYS . 63.3 m170 -109.31 -51.76 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.617 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 1.6 m-85 24.05 34.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.913 ' SG ' HD11 ' A' ' 38' ' ' LEU . 1.3 p 160.23 -172.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.535 ' OG1' ' HB1' ' A' ' 15' ' ' ALA . 8.9 t -137.7 -42.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.548 ' N ' ' HD2' ' A' ' 11' ' ' LYS . . . 145.52 115.97 0.99 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.446 1.091 . . . . 0.0 111.015 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.637 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER 76.91 -75.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.33 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.01 75.6 10.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.644 ' HB2' ' CB ' ' A' ' 29' ' ' CYS . 13.8 p -147.87 -161.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.222 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 168.85 75.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.506 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 170.89 136.01 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.617 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -74.93 147.01 33.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.462 1.77 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.116 HD22 ' CD ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -104.41 80.81 1.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.949 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 2.0 t . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.823 HG21 ' HB3' ' A' ' 9' ' ' GLN . 23.2 m -143.41 -126.0 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.89 -131.19 4.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.728 ' O ' ' C ' ' A' ' 6' ' ' CYS . 18.5 Cg_endo -74.95 58.37 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.574 1.829 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.788 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -4.73 104.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 108.372 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.814 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER 159.58 44.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 108.299 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.594 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 4.0 tpm_? 149.55 -13.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.174 . . . . 0.0 110.298 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.823 ' HB3' HG21 ' A' ' 3' ' ' THR . 5.5 mm-40 -140.09 -72.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.337 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.949 ' HG ' ' N ' ' A' ' 2' ' ' THR . 14.2 t -54.38 -48.69 71.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 108.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.814 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -76.93 53.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.93 -9.36 4.12 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.816 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.37 162.85 16.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.0 39.53 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 60.95 124.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.207 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.11 -95.27 0.68 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.673 1.233 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.552 ' O ' ' N ' ' A' ' 29' ' ' CYS . 81.4 m -152.65 151.74 30.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 0.772 . . . . 0.0 110.453 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.531 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -73.06 133.84 44.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 0.0 110.399 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.706 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 4.5 m 32.47 57.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.497 ' CB ' ' HB ' ' A' ' 17' ' ' THR . 24.3 t-105 -115.8 -64.08 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 108.045 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 11.5 tptp 73.87 126.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.426 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 35.7 p -116.9 171.52 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.72 0.6 33.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tp -109.28 -45.64 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 27' ' ' HIS . 26.3 m -156.6 118.02 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.629 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 5.1 t -49.23 87.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.539 ' N ' ' O ' ' A' ' 25' ' ' THR . 32.3 m170 -91.8 98.83 11.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.545 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.841 ' H ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -108.82 25.77 11.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.091 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.769 ' SG ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -165.21 -154.7 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.55 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 11.5 m -155.81 -35.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 110.389 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 32' ' ' LYS . . . 135.24 119.96 1.98 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.429 1.081 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.757 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 57.78 122.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.553 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 85.14 43.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.667 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -154.97 163.42 40.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.575 1.172 . . . . 0.0 108.244 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -160.88 34.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.788 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -103.51 147.09 33.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 108.316 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -74.98 127.66 10.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.841 HD23 ' H ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -107.11 35.27 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 26' ' ' SER . 41.1 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.857 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 73.5 p . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.589 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 21.0 m -40.38 -65.15 0.44 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.56 1.162 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.431 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -135.76 -126.33 2.57 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.449 1.093 . . . . 0.0 111.069 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.755 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.6 Cg_endo -74.97 13.62 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 3.8 p 60.74 -50.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -48.73 122.61 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.401 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.608 ' CG ' ' O ' ' A' ' 8' ' ' ARG . 6.8 tpt180 68.35 2.16 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' CYS . 19.6 mt-30 -128.49 -91.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.374 1.046 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.857 ' HG ' ' N ' ' A' ' 2' ' ' THR . 8.4 m -68.41 -25.95 65.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.07 . . . . 0.0 108.287 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.929 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -81.17 37.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' H ' ' C ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -56.79 -3.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 1.031 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -91.01 158.16 42.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 54.46 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 30' ' ' THR . . . 65.17 175.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.59 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . 159.37 44.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' CYS . 3.2 m 82.82 176.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.483 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -119.18 146.19 45.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.651 ' HA ' ' CD1' ' A' ' 28' ' ' TYR . 1.6 m 36.16 62.66 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.277 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.444 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 6.4 t90 -129.49 -62.51 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.499 ' HA ' ' N ' ' A' ' 27' ' ' HIS . 2.6 mtpm? 72.51 122.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.548 ' CG2' ' CD2' ' A' ' 27' ' ' HIS . 14.2 p -96.34 173.55 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.435 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.25 12.41 31.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.886 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.73 -48.74 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.829 HG22 ' N ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -123.48 -83.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.48 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.829 ' N ' HG22 ' A' ' 25' ' ' THR . 1.0 OUTLIER 151.68 92.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.993 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.765 ' O ' ' HD1' ' A' ' 28' ' ' TYR . 5.6 m-70 -87.66 166.97 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.93 ' N ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 166.91 25.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.932 ' SG ' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 175.0 -165.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 108.275 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.589 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 3.5 m -127.14 -41.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.397 1.06 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.697 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 129.72 110.21 1.42 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.697 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER 145.12 -100.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 0.0 109.173 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.1 p -125.99 70.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 7.9 p -94.91 -173.68 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 108.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -149.15 34.78 0.73 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.488 1.118 . . . . 0.0 109.349 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 1.7 m -139.62 112.41 7.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.618 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.3 Cg_endo -74.99 127.57 10.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.031 HD22 ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -92.28 110.18 21.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.215 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.596 ' CD1' ' HB3' ' A' ' 26' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.664 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.913 ' H ' ' HB2' ' A' ' 10' ' ' CYS . 1.5 m -118.58 -88.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.638 1.211 . . . . 0.0 110.4 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.545 ' N ' HG22 ' A' ' 3' ' ' THR . . . -128.75 -100.06 0.97 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.549 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -75.03 -10.46 21.17 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.594 1.839 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.91 ' CA ' ' HB3' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 73.11 -55.55 0.68 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.067 . . . . 0.0 108.272 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.779 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -53.04 68.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.334 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.817 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER 135.73 -18.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.704 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -138.72 -87.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.913 ' HB2' ' H ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -41.74 -26.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.372 1.045 . . . . 0.0 108.282 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.857 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -95.14 31.98 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.704 ' N ' ' O ' ' A' ' 9' ' ' GLN . 2.6 pp -41.67 -32.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.986 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.47 163.99 0.69 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.534 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 14.0 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 73.05 139.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' HA3' ' ND1' ' A' ' 27' ' ' HIS . . . -132.0 -60.72 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.51 ' HB ' ' CB ' ' A' ' 20' ' ' TRP . 96.8 m -158.5 156.18 29.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.481 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.3 m -74.39 121.77 21.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.178 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.736 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.3 m 35.45 61.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 1.2 t-105 -115.59 -60.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 89.43 125.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.377 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.762 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 18.2 p -80.46 18.03 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.432 ' HB3' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 70.64 2.53 4.15 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 23' ' ' SER . 0.0 OUTLIER -157.74 -82.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -48.98 -44.6 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.369 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.597 ' HB2' ' N ' ' A' ' 39' ' ' TYR . 2.6 m 86.0 89.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.036 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.762 ' CG ' ' CG2' ' A' ' 22' ' ' THR . 17.1 m170 -87.97 10.23 19.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.566 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.736 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -50.71 83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.06 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.802 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 163.66 -158.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 108.297 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -156.08 -41.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 110.475 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.775 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 109.43 108.25 3.16 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.775 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 122.61 -92.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 0.7 . . . . 0.0 109.379 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.526 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.5 m -108.99 85.64 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.665 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 12.5 m -143.33 -151.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.365 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p30 164.64 41.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 33.2 m -114.41 149.12 41.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.5 Cg_endo -75.01 139.54 24.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.986 HD22 ' HD3' ' A' ' 13' ' ' LYS . 1.4 mp -131.18 72.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.597 ' N ' ' HB2' ' A' ' 26' ' ' SER . 33.1 t80 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.804 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.672 HG21 ' HG2' ' A' ' 9' ' ' GLN . 26.9 m -50.18 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.621 1.201 . . . . 0.0 110.37 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -127.81 -134.15 3.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.829 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.08 34.01 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.867 ' CB ' HD21 ' A' ' 38' ' ' LEU . 26.3 p 56.85 -56.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.829 ' N ' ' O ' ' A' ' 5' ' ' PRO . 45.6 m -52.46 97.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 108.279 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.744 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER 110.94 6.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.672 ' HG2' HG21 ' A' ' 3' ' ' THR . 3.3 mp0 -157.22 -86.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.804 ' HG ' ' N ' ' A' ' 2' ' ' THR . 5.0 m -58.92 -23.88 61.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.27 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 1.091 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -79.25 6.86 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' LYS . 3.0 pp -38.72 -32.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.626 ' NZ ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -62.95 167.68 5.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 0.0 109.369 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.607 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -74.97 42.26 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.429 1.752 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 57.41 148.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.621 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -140.26 -106.64 0.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 20' ' ' TRP . 1.2 m -132.49 161.06 34.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 0.825 . . . . 0.0 110.464 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.604 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -68.11 119.01 12.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.838 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 25.75 66.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.4 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.592 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 28.0 t-105 -178.29 91.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.987 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.557 ' C ' ' OG1' ' A' ' 22' ' ' THR . 0.6 OUTLIER -173.05 -113.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.199 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.557 ' OG1' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER 51.87 -175.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.64 3.83 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -151.6 -37.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.173 . . . . 0.0 109.21 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.64 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -159.85 -45.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 0.0 110.382 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.4 m 99.18 89.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.621 ' CD2' ' HA3' ' A' ' 16' ' ' GLY . 4.2 m80 -94.63 -51.7 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.838 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER 20.57 62.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.549 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 179.85 -148.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 108.296 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.561 ' CG2' ' O ' ' A' ' 30' ' ' THR . 0.9 OUTLIER -161.97 11.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.612 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 55.63 121.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.422 1.076 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.67 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 77.64 -69.91 0.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 86.73 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.945 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.569 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 18.3 p -157.96 -164.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER 179.92 69.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.831 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 1.8 m -169.98 154.24 5.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 108.27 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.95 ' C ' HD23 ' A' ' 38' ' ' LEU . 18.3 Cg_endo -74.97 136.7 20.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 111.081 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.147 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -111.53 48.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.579 ' HA ' ' CB ' ' A' ' 26' ' ' SER . 4.4 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.676 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 1.1 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.908 ' H ' ' HA ' ' A' ' 10' ' ' CYS . 84.8 m -115.14 -80.74 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.554 1.159 . . . . 0.0 110.447 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.857 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . -112.29 -123.08 4.16 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -74.98 -20.51 16.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.4 1.737 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.741 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 93.97 150.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.272 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.966 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 94.33 31.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.354 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.62 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 48.7 tpt85 173.34 -10.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.681 ' HB3' HG21 ' A' ' 3' ' ' THR . 1.8 mt-30 -173.77 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.971 ' O ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -77.38 -4.61 46.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 108.306 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.62 ' HD2' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -129.6 25.52 5.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.775 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -36.83 -31.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.787 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -37.68 156.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.309 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.07 53.92 3.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.57 1.827 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . 61.33 136.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.363 1.04 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.411 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -176.54 85.08 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.676 HG22 ' H ' ' A' ' 18' ' ' THR . 18.9 m 48.88 -179.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.676 ' H ' HG22 ' A' ' 17' ' ' THR . 4.7 t -117.57 12.25 14.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.682 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER 171.35 66.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.553 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 6.8 t-105 -119.77 -67.27 0.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HA ' ' N ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 74.59 118.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.352 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.3 p -111.11 -176.83 3.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.355 1.035 . . . . 0.0 110.351 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.76 -10.02 49.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.94 -33.56 8.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.703 HG22 ' HD2' ' A' ' 27' ' ' HIS . 4.2 m -161.93 120.05 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 0.0 110.436 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -56.19 81.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.703 ' HD2' HG22 ' A' ' 25' ' ' THR . 56.4 m170 -73.94 86.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.682 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -127.15 43.99 3.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.076 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.861 ' HB2' HD11 ' A' ' 38' ' ' LEU . 1.4 m 172.69 167.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.527 HG23 ' SG ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -124.66 -57.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 7' ' ' CYS . . . 159.9 109.38 0.25 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.966 ' N ' ' O ' ' A' ' 7' ' ' CYS . 33.3 mmtt 62.8 125.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 3.2 t 91.82 20.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.934 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.592 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 2.4 m -130.46 176.64 7.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 108.254 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 5' ' ' PRO . 14.7 t70 -170.37 23.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -95.79 143.59 26.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.5 Cg_endo -74.95 131.46 14.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.547 1.814 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.971 HD13 ' O ' ' A' ' 10' ' ' CYS . 3.7 mp -108.06 55.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.417 ' N ' ' CB ' ' A' ' 26' ' ' SER . 2.1 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.642 HG22 ' HB3' ' A' ' 9' ' ' GLN . 23.8 m -59.18 -102.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.461 ' N ' HG22 ' A' ' 3' ' ' THR . . . -126.93 -117.0 2.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.737 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.0 10.82 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.933 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 4.7 p 60.98 -56.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.806 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -49.87 72.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 108.238 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.815 ' N ' ' O ' ' A' ' 6' ' ' CYS . 9.5 tpt180 106.55 -11.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.895 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -150.5 77.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.242 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.895 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 0.1 OUTLIER 130.75 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 108.333 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.841 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -91.99 26.17 2.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.369 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' C ' HD12 ' A' ' 12' ' ' LEU . 1.6 pp -37.03 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.945 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -41.67 163.58 0.11 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.05 44.16 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.465 1.771 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 60.1 115.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -114.38 -118.06 3.3 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.603 ' HB ' ' CB ' ' A' ' 20' ' ' TRP . 3.7 m -144.0 129.25 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.46 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.1 m -34.88 129.8 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.607 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 2.9 m 27.18 56.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 108.2 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.603 ' CB ' ' HB ' ' A' ' 17' ' ' THR . 60.8 t-105 -97.79 -61.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.049 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' HA ' ' H ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 75.2 121.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.362 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.678 HG22 ' CD2' ' A' ' 27' ' ' HIS . 27.5 p -73.76 -144.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.1 19.19 19.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.962 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 25' ' ' THR . 7.8 tt -176.82 -67.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.757 HG22 ' N ' ' A' ' 26' ' ' SER . 1.3 m -52.55 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.757 ' N ' HG22 ' A' ' 25' ' ' THR . 25.7 t 150.98 97.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.613 1.195 . . . . 0.0 109.967 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.678 ' CD2' HG22 ' A' ' 22' ' ' THR . 2.8 m-70 -92.22 32.5 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.593 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.607 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -63.87 50.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 111.008 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.837 ' HB3' HD21 ' A' ' 38' ' ' LEU . 17.9 t 176.31 171.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 108.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.637 HG23 ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -127.49 -44.74 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 110.352 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.501 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 131.8 109.41 1.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.806 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER 67.97 112.69 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.439 0.729 . . . . 0.0 109.219 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.6 t 90.06 45.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.1 m -138.76 -164.68 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 108.251 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 166.15 40.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -118.84 147.59 42.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 108.342 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.04 124.36 8.54 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.457 1.767 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.945 HD22 ' HD3' ' A' ' 13' ' ' LYS . 2.1 mp -96.94 57.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.433 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 111.043 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.602 ' HB ' ' CB ' ' A' ' 10' ' ' CYS . 52.5 m -144.2 -100.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.75 -100.42 0.5 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.515 1.135 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.679 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.96 -5.05 16.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.707 ' HA ' ' N ' ' A' ' 10' ' ' CYS . 6.3 p 62.67 -55.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 108.26 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.743 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -50.19 103.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 108.267 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.735 ' CD ' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 80.13 5.38 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 6' ' ' CYS . 4.9 mt-30 -136.48 -101.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.707 ' N ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -58.0 -17.08 15.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.34 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.857 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -98.5 72.99 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.88 10.5 15.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.641 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -100.45 -177.45 0.57 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.03 -167.07 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.588 1.836 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.568 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . -82.26 118.6 23.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.667 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -111.17 -97.17 2.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.544 1.153 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 18' ' ' THR . 29.0 m -162.16 175.22 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.566 ' N ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER -82.65 118.11 23.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 110.384 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.575 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 57.9 m 38.98 63.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.592 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 2.7 t90 -113.12 -76.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 107.975 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 89.57 121.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.729 ' CG2' ' CE1' ' A' ' 27' ' ' HIS . 73.0 p -75.94 -114.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.75 16.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.61 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -152.2 -71.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.649 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.0 m -75.23 -56.82 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.338 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.9 t 100.12 107.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.729 ' CE1' ' CG2' ' A' ' 22' ' ' THR . 6.5 m-70 -67.8 -87.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER 44.08 37.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 8.2 t -179.26 -137.76 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 0.9 OUTLIER 166.93 -27.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.445 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.557 ' HA2' ' HG2' ' A' ' 11' ' ' LYS . . . 110.23 107.92 3.08 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.51 1.132 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.743 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 68.71 112.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 90.06 44.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.156 . . . . 0.0 110.054 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 20.8 m -135.89 -158.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.175 . . . . 0.0 108.346 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 2.6 p30 155.84 42.94 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.531 1.144 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -130.87 149.48 73.8 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 108.273 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.6 Cg_endo -74.98 131.53 14.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.811 . . . . 0.0 111.059 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.794 ' CD1' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -114.57 50.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.561 HG22 ' OE1' ' A' ' 9' ' ' GLN . 91.9 m -58.33 -104.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.489 ' N ' ' OE1' ' A' ' 9' ' ' GLN . . . -124.64 -117.99 2.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.917 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.02 13.9 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.844 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 20.0 p 54.79 -48.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.917 ' N ' ' O ' ' A' ' 5' ' ' PRO . 7.3 m -48.22 118.15 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.658 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 78.78 -24.21 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.561 ' OE1' HG22 ' A' ' 3' ' ' THR . 45.9 mt-30 -93.39 -86.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.911 ' O ' HD11 ' A' ' 38' ' ' LEU . 6.1 p -126.86 85.4 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.844 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -172.49 29.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -56.14 -11.56 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.8 ' HZ3' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -40.14 143.66 0.61 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.433 1.083 . . . . 0.0 109.381 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.501 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 45.16 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.551 1.816 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 30' ' ' THR . . . 71.29 124.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.526 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -130.37 -74.98 0.14 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.574 1.171 . . . . 0.0 111.014 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.739 HG22 ' H ' ' A' ' 18' ' ' THR . 5.1 m -158.22 -163.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 0.804 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.739 ' H ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -129.82 126.29 37.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.624 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 1.5 m 38.63 66.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 0.0 108.349 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.654 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 11.8 t-105 -139.2 -73.64 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 108.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.654 ' CG ' ' O ' ' A' ' 20' ' ' TRP . 0.0 OUTLIER 99.71 136.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.579 ' O ' ' CB ' ' A' ' 23' ' ' SER . 22.1 p -80.79 -69.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 22' ' ' THR . 0.7 OUTLIER 153.29 -18.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.586 1.178 . . . . 0.0 109.929 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -118.1 -61.37 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.8 ' CG2' ' HZ3' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -84.28 -71.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.382 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.754 ' CB ' ' O ' ' A' ' 25' ' ' THR . 60.1 m 123.47 114.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.958 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' O ' HD22 ' A' ' 38' ' ' LEU . 50.2 m170 -92.32 -95.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.718 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER 64.59 6.47 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.822 ' SG ' ' CD2' ' A' ' 38' ' ' LEU . 26.0 p 176.18 -158.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.514 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 56.0 p -138.82 -63.3 0.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.858 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . 170.52 115.56 0.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 53.93 140.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.24 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 7.3 t 85.87 -35.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 29' ' ' CYS . 15.1 p -57.41 -159.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 108.32 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 t0 179.03 66.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -178.17 127.74 0.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 108.259 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.718 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -75.01 154.84 42.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.911 HD11 ' O ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -99.21 64.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.9 t80 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.62 ' N ' ' HB3' ' A' ' 10' ' ' CYS . 1.5 m . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.585 0.231 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.87 HG21 ' HB3' ' A' ' 9' ' ' GLN . 98.9 m -123.41 -108.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.701 ' N ' ' SG ' ' A' ' 10' ' ' CYS . . . -130.18 -96.47 0.76 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.474 ' O ' ' O ' ' A' ' 34' ' ' CYS . 18.3 Cg_endo -75.11 6.42 3.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.81 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 17.5 p 47.85 -134.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 108.308 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.774 ' C ' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER 36.8 52.64 1.04 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.354 1.034 . . . . 0.0 108.347 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.677 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 14.3 tpp180 142.4 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.87 ' HB3' HG21 ' A' ' 3' ' ' THR . 6.4 mt-30 -108.65 -81.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.723 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 1.8 m -49.68 -40.36 39.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 108.243 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.696 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -77.52 38.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -68.76 -9.14 49.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.696 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.12 -174.2 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.0 59.71 5.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.98 96.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.583 ' HA3' ' HZ3' ' A' ' 13' ' ' LYS . . . -70.51 -153.83 1.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.421 1.076 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' CYS . 34.8 m -121.77 -125.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.409 0.711 . . . . 0.0 110.352 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -123.61 103.09 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.369 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 1.03 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 86.7 m 29.88 80.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.192 . . . . 0.0 108.347 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.643 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 5.1 m95 -134.19 -60.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.009 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 65.51 135.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.686 HG23 ' CD2' ' A' ' 27' ' ' HIS . 27.9 p -100.33 -127.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.423 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.419 ' N ' ' OG1' ' A' ' 22' ' ' THR . 5.5 m -106.19 -6.79 18.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.48 -76.2 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -75.41 103.67 5.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -64.03 70.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.686 ' CD2' HG23 ' A' ' 22' ' ' THR . 4.1 p80 -61.06 68.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.579 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 1.03 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -105.87 18.28 22.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.978 ' SG ' HD11 ' A' ' 38' ' ' LEU . 11.6 m -152.16 -177.71 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 108.26 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.486 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 5.0 t -136.78 -35.1 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.505 ' C ' ' SG ' ' A' ' 7' ' ' CYS . . . 135.41 115.63 1.51 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.774 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 61.47 114.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.394 0.702 . . . . 0.0 109.353 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.629 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 3.4 t 97.87 29.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.583 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.5 m -139.42 169.68 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -166.24 30.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.652 ' CB ' ' HB3' ' A' ' 28' ' ' TYR . 92.0 m -100.31 165.48 14.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 108.371 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.623 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -75.06 149.66 36.76 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.978 HD11 ' SG ' ' A' ' 29' ' ' CYS . 1.1 mt -142.75 37.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.379 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.06 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.961 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 1.1 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.704 ' HB ' ' O ' ' A' ' 9' ' ' GLN . 1.8 m -149.09 -85.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.524 ' N ' ' HB2' ' A' ' 10' ' ' CYS . . . -99.3 -139.07 10.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' O ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo -74.95 13.85 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.959 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER 50.87 105.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 108.292 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.831 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 1.6 m 141.85 43.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 108.265 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 8.7 tpp180 144.37 -10.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.704 ' O ' ' HB ' ' A' ' 3' ' ' THR . 3.7 mt-30 -173.66 56.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.961 ' HG ' ' N ' ' A' ' 2' ' ' THR . 0.1 OUTLIER 170.31 -39.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 108.294 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.684 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -87.88 15.17 7.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.51 1.131 . . . . 0.0 109.37 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.517 ' O ' ' O ' ' A' ' 13' ' ' LYS . 4.5 pp -35.46 -35.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.612 1.195 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.655 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.44 177.46 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.03 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.455 1.766 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.87 ' HB1' HG23 ' A' ' 30' ' ' THR . . . -35.23 136.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.546 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -127.43 -86.04 0.53 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.568 HG22 ' H ' ' A' ' 18' ' ' THR . 6.0 m -157.41 -142.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.568 ' H ' HG22 ' A' ' 17' ' ' THR . 0.8 OUTLIER -119.74 123.9 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.8 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.3 m 33.41 77.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.594 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -134.39 -76.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.007 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.612 ' O ' ' HB ' ' A' ' 22' ' ' THR . 0.0 OUTLIER 93.06 125.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.612 ' HB ' ' O ' ' A' ' 21' ' ' LYS . 6.9 t 173.98 -168.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.489 ' N ' ' OG1' ' A' ' 22' ' ' THR . 0.5 OUTLIER 51.09 19.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER 78.07 -1.34 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 27' ' ' HIS . 27.6 m -125.64 111.52 15.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.675 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 4.0 m -51.75 78.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.649 ' N ' ' O ' ' A' ' 25' ' ' THR . 3.1 m-70 -40.69 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.587 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.8 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.5 m-85 29.51 36.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.029 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER 170.95 -167.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 108.39 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.87 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -159.11 -66.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.478 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.632 ' O ' ' CD ' ' A' ' 32' ' ' LYS . . . 167.58 116.39 0.36 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.714 ' H ' ' CA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 43.97 24.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.457 ' N ' ' C ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -153.69 51.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 1.029 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 20.3 p -165.31 -143.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 108.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 153.86 39.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 109.235 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.959 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -128.51 161.22 58.29 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.28 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.539 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 17.9 Cg_endo -75.05 145.87 31.78 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -124.13 63.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 1.057 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 1.1 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.799 ' N ' ' HB2' ' A' ' 10' ' ' CYS . 1.2 m -170.78 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.552 1.157 . . . . 0.0 110.485 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.487 ' N ' HG22 ' A' ' 3' ' ' THR . . . -136.01 -106.27 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.642 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.01 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.939 ' HA ' ' HB3' ' A' ' 10' ' ' CYS . 1.7 p 64.95 -53.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.821 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -51.02 75.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 108.292 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.759 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER 109.33 -15.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.284 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.942 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 12.4 mt-30 -148.06 72.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.261 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 1.057 ' HG ' ' N ' ' A' ' 2' ' ' THR . 0.0 OUTLIER 132.66 -12.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.213 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.821 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -107.43 22.97 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HG ' ' CE ' ' A' ' 13' ' ' LYS . 3.0 pp -36.13 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.737 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.76 156.1 0.46 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.686 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.01 31.26 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.432 1.753 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 84.55 151.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' THR . . . 174.95 86.85 0.06 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.442 1.089 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.798 HG22 ' H ' ' A' ' 18' ' ' THR . 21.1 m 45.19 -172.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 110.432 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.798 ' H ' HG22 ' A' ' 17' ' ' THR . 5.8 t -109.87 7.74 24.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.475 1.109 . . . . 0.0 110.445 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.786 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.4 m 173.5 77.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.346 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.631 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -118.7 -68.75 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.047 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.573 ' N ' ' HD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 79.63 124.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.451 ' CG2' ' CD2' ' A' ' 27' ' ' HIS . 52.2 p -84.43 -119.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.79 15.14 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.081 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.81 -71.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.8 OUTLIER -56.55 -51.92 66.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 10.1 m 83.56 92.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.087 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.733 ' C ' HD23 ' A' ' 38' ' ' LEU . 6.6 m-70 -65.09 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.571 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.786 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER 66.3 48.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.964 ' CB ' HD21 ' A' ' 38' ' ' LEU . 1.4 t 179.62 167.21 1.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 108.248 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.615 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 22.5 m -132.59 -58.38 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.635 1.21 . . . . 0.0 110.44 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.716 ' O ' ' HB3' ' A' ' 32' ' ' LYS . . . 152.89 111.68 0.47 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.615 1.197 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.716 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 82.65 -69.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.64 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 30.0 t -67.3 -98.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 110.069 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.761 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 27.2 p 23.2 -130.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 108.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.761 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 23.2 t70 124.64 47.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -138.16 159.23 69.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 108.335 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.1 145.31 30.97 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.964 HD21 ' CB ' ' A' ' 29' ' ' CYS . 2.1 mp -125.3 48.99 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.508 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 1.022 HG21 HD23 ' A' ' 12' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.9 ' H ' ' HB2' ' A' ' 10' ' ' CYS . 7.6 m -152.27 -82.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.508 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.02 -88.9 0.08 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.538 1.148 . . . . 0.0 111.033 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.528 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo -74.97 -18.49 18.78 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.882 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.5 OUTLIER 73.73 -55.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 108.329 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -55.1 74.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 108.332 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.767 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 6.7 tpm_? 123.47 -16.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.598 ' HB3' HG21 ' A' ' 3' ' ' THR . 27.2 mm-40 -134.15 -92.16 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.351 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.9 ' HB2' ' H ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -44.09 -21.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 108.291 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.844 ' HZ2' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -99.68 43.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.022 HD23 HG21 ' A' ' 2' ' ' THR . 0.6 OUTLIER -56.24 -23.58 36.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.855 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -68.98 164.78 44.34 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.646 ' O ' ' C ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.87 147.27 34.3 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 0.0 111.017 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.646 ' C ' ' O ' ' A' ' 14' ' ' PRO . . . -18.17 108.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.522 ' HA3' ' HB2' ' A' ' 27' ' ' HIS . . . -95.85 -106.05 2.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.562 1.164 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.677 HG22 ' H ' ' A' ' 18' ' ' THR . 11.8 m -157.35 -177.69 6.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.677 ' H ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -86.57 109.37 19.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.988 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 20.2 m 27.81 74.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 108.239 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.612 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 5.5 t-105 -123.82 -60.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 107.997 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 79.75 118.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.701 HG23 ' CG ' ' A' ' 27' ' ' HIS . 41.2 p -79.56 -71.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -174.97 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.44 1.087 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.38 -40.15 2.71 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.514 1.134 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.811 HG23 ' HZ3' ' A' ' 13' ' ' LYS . 1.7 m -82.22 -32.94 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.483 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.663 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 2.9 m 57.22 72.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.701 ' CG ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -74.06 93.47 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.572 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.988 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -118.08 9.25 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.951 ' SG ' HD11 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -146.93 -169.82 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.322 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 m -135.64 -14.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.573 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . 98.28 115.23 3.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.769 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 80.46 107.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.445 ' HB2' ' CD ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER 80.92 53.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.995 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.562 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.3 m -148.39 175.72 10.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 108.356 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -168.94 43.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.934 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 5.9 m -117.46 148.62 43.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 108.299 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.559 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.6 Cg_endo -74.99 145.15 31.12 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.951 HD11 ' SG ' ' A' ' 29' ' ' CYS . 1.9 mp -133.11 63.86 1.63 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.645 ' CD1' ' OG1' ' A' ' 2' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.425 ' N ' ' HB3' ' A' ' 10' ' ' CYS . 10.6 m . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.651 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 47.0 m -71.07 -95.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.579 1.174 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.42 -99.25 1.03 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.557 1.16 . . . . 0.0 111.057 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.773 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.6 Cg_endo -74.88 -0.41 9.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.094 ' HB2' HD12 ' A' ' 38' ' ' LEU . 8.5 p 68.17 -56.82 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 108.362 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.71 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.3 m -56.77 97.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.705 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 4.5 tpp180 103.81 5.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.529 ' HB3' ' CB ' ' A' ' 3' ' ' THR . 77.6 mt-30 -150.09 -81.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.933 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -70.23 -19.45 63.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.427 1.08 . . . . 0.0 108.283 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 1.013 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -84.56 26.32 0.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 0.4 OUTLIER -73.45 4.66 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.928 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -70.25 -169.83 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.667 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.07 8.75 2.3 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 73.14 124.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.424 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -138.67 -153.28 6.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.703 HG21 ' CE3' ' A' ' 20' ' ' TRP . 0.3 OUTLIER -78.49 149.27 33.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 0.753 . . . . 0.0 110.443 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.406 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 1.5 t -46.17 -22.76 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.78 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 19.5 m -162.86 66.38 0.2 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 108.314 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.703 ' CE3' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -94.78 -73.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.057 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.605 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 1.8 tptm 71.1 119.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.622 HG21 ' CE1' ' A' ' 27' ' ' HIS . 40.3 p -101.17 -141.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.99 10.01 18.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.34 -40.37 1.97 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.092 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.34 157.12 43.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.449 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 1.28 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -86.63 75.03 9.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.973 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.644 ' C ' ' CD2' ' A' ' 38' ' ' LEU . 10.6 m170 -45.13 -17.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.615 1.197 . . . . 0.0 109.62 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 1.024 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 1.5 m-85 -31.17 87.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.867 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER 158.15 -172.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.604 1.19 . . . . 0.0 108.282 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.901 HG22 ' HB3' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -148.77 -61.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.591 ' O ' ' CD ' ' A' ' 32' ' ' LYS . . . 156.87 114.75 0.45 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.591 ' CD ' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 40.26 28.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 0.713 . . . . 0.0 109.333 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.47 ' N ' ' C ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -159.41 47.11 0.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.947 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.901 ' HB3' HG22 ' A' ' 30' ' ' THR . 23.9 p -155.48 -153.08 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 169.67 35.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 1.024 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 36.5 m -112.67 169.93 5.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.681 ' HD2' ' HB3' ' A' ' 36' ' ' CYS . 18.5 Cg_endo -74.95 156.56 43.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.28 HD23 ' O ' ' A' ' 26' ' ' SER . 22.0 mt -147.02 49.99 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.731 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 96.0 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.752 HG21 ' HB3' ' A' ' 9' ' ' GLN . 20.3 m -156.59 -100.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.357 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.625 ' N ' ' HB2' ' A' ' 10' ' ' CYS . . . -100.72 -117.25 4.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.054 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 18.0 Cg_endo -74.99 -23.34 13.92 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER 88.4 110.97 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.822 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.6 m 135.71 52.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.658 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 144.38 -14.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.752 ' HB3' HG21 ' A' ' 3' ' ' THR . 5.8 mt-30 -156.16 -41.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.222 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.919 ' O ' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -98.46 18.85 15.61 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 108.346 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.822 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -129.77 0.5 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.336 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.599 ' C ' ' O ' ' A' ' 11' ' ' LYS . 3.2 pp -24.05 -42.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 1.016 ' HD3' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -48.8 176.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.498 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.04 151.71 39.67 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . -48.07 142.28 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.709 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -164.56 69.83 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.562 HG22 ' H ' ' A' ' 18' ' ' THR . 18.9 m 32.59 -134.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 0.76 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.562 ' H ' HG22 ' A' ' 17' ' ' THR . 1.7 m -140.98 142.63 34.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.396 1.06 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.658 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 61.6 m 40.43 69.92 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 108.351 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.551 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 3.4 t-105 -125.74 -75.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 107.983 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 92.55 128.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.598 ' CG2' ' CE1' ' A' ' 27' ' ' HIS . 37.9 p -90.15 -2.47 58.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 22' ' ' THR . 4.4 t 91.62 -30.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 tt -108.76 -64.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 109.321 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.755 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -73.77 -77.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.755 ' CB ' ' O ' ' A' ' 25' ' ' THR . 73.9 m 123.73 75.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.709 ' CG ' ' HA3' ' A' ' 16' ' ' GLY . 42.8 m170 -47.04 -73.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.557 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.658 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.4 m-85 30.75 49.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.416 1.072 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.36 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.9 OUTLIER 155.65 -175.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.411 1.07 . . . . 0.0 108.33 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -152.33 -40.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.557 ' C ' ' CD ' ' A' ' 32' ' ' LYS . . . 142.62 119.34 1.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.672 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 38.66 74.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.242 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.6 m 153.47 36.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 1.36 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 7.3 p -150.82 -156.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.351 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 1.2 t0 170.36 38.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.91 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -126.71 154.1 75.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.402 1.064 . . . . 0.0 108.374 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.489 ' HD2' ' HD2' ' A' ' 28' ' ' TYR . 18.3 Cg_endo -74.95 136.34 20.37 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.544 1.813 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.016 HD13 ' HD3' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -124.47 68.95 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.423 ' N ' ' HB2' ' A' ' 26' ' ' SER . 69.0 t80 . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.668 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.585 0.231 . . . . 0.0 110.452 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.639 ' OG1' ' CA ' ' A' ' 10' ' ' CYS . 46.8 p -61.12 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.505 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.502 ' N ' ' OG1' ' A' ' 3' ' ' THR . . . -94.8 -147.82 23.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.705 ' O ' ' C ' ' A' ' 6' ' ' CYS . 18.1 Cg_endo -75.05 48.84 2.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.84 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER 13.91 104.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 108.242 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.818 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER 154.63 45.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.22 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.633 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 3.3 tpt180 144.98 -9.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -146.22 -68.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.8 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -60.77 -41.14 94.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.329 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.785 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -83.96 56.8 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.637 1.211 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -6.81 37.72 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.971 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -86.38 166.27 28.94 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.543 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.04 129.48 12.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.817 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 30' ' ' THR . . . -39.85 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.513 ' O ' ' OG1' ' A' ' 17' ' ' THR . . . -100.07 -61.93 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 16' ' ' GLY . 91.4 m -161.86 157.53 24.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -82.45 111.5 18.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.875 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 4.5 m 46.97 62.11 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.382 1.051 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.565 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 2.2 t-105 -117.87 -59.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 26' ' ' SER . 1.2 tptp 76.24 119.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.532 HG22 ' CD2' ' A' ' 27' ' ' HIS . 46.8 p -73.57 -131.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.87 20.92 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.968 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -165.63 -40.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.662 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -92.29 -64.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.662 ' CB ' ' O ' ' A' ' 25' ' ' THR . 4.4 m 99.09 76.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.934 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CD2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.66 91.19 7.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.616 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.875 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -118.26 50.4 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.771 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -171.71 -152.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.508 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 6.3 t -160.56 -38.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 127.56 117.28 2.05 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.734 ' H ' ' CA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 69.99 -59.76 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 0.722 . . . . 0.0 109.251 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 3.4 p -90.61 75.62 6.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.017 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.818 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 10.0 p 176.98 174.6 0.41 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.426 1.079 . . . . 0.0 108.278 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -173.64 34.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.84 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -103.79 153.09 38.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.0 Cg_endo -75.06 123.53 7.92 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.54 1.81 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.971 HD22 ' HD3' ' A' ' 13' ' ' LYS . 1.3 mp -97.06 51.04 1.1 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 1.028 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.553 0.216 . . . . 0.0 110.419 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.619 ' HB ' ' C ' ' A' ' 9' ' ' GLN . 84.4 m -88.01 -95.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -126.72 -119.93 2.32 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.703 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo -75.08 12.03 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.159 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 2.8 p 67.48 -56.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.485 1.116 . . . . 0.0 108.289 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 3.8 m -50.79 86.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 108.259 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.681 ' HB3' ' O ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER 91.56 -6.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.206 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 1.057 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 8.3 mt-30 -152.84 79.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 1.094 ' CB ' ' HA ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER 135.76 -56.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.25 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.943 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -70.93 31.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.643 ' H ' ' C ' ' A' ' 10' ' ' CYS . 2.9 pp -49.5 -19.03 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.994 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -75.48 179.39 1.43 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.721 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -74.97 34.33 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.431 1.753 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.935 ' HB1' ' HA ' ' A' ' 30' ' ' THR . . . 35.0 -154.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.59 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . 165.75 -69.34 0.19 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.947 ' O ' HG23 ' A' ' 30' ' ' THR . 2.4 m -123.13 -138.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.354 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.02 1.94 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.733 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 170.57 40.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.405 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -123.34 99.82 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.847 ' O ' ' CB ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -82.7 128.28 34.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.847 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 10.5 t 126.78 -143.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.784 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER 57.77 18.12 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.971 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.784 ' CB ' ' O ' ' A' ' 23' ' ' SER . 48.2 tp 121.51 -7.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.595 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER 159.79 151.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.369 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.634 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 1.8 m -40.3 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.374 1.046 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.59 ' CD2' ' HA3' ' A' ' 16' ' ' GLY . 1.2 m-70 -106.14 38.68 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.729 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.733 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -78.36 32.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.95 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 4.2 t -170.32 175.69 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 108.278 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.947 HG23 ' O ' ' A' ' 17' ' ' THR . 0.6 OUTLIER -126.86 -34.89 2.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.478 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 115.67 109.79 2.7 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.568 1.167 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.607 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER 84.59 -54.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.441 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 2.3 m -109.67 83.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.072 . . . . 0.0 110.082 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 31.9 p -166.96 -151.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 1.2 m-20 154.0 69.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 109.281 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -162.25 148.4 10.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 108.241 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.612 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -75.02 138.57 23.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.994 HD22 ' HD3' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -116.83 67.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.643 ' CA ' ' HB2' ' A' ' 10' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.613 ' N ' ' HB2' ' A' ' 10' ' ' CYS . 98.1 m -158.07 -90.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 110.463 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.03 -111.01 1.84 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.56 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.7 Cg_endo -74.81 3.06 5.85 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.494 1.786 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.883 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER 68.18 -57.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.851 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -50.18 107.45 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.27 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.712 ' CG ' ' O ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 69.6 28.0 4.64 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.092 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 15.8 mm100 -157.05 -85.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.883 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -93.1 34.17 1.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.802 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -141.62 28.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.605 1.191 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -45.38 -19.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.817 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -40.03 162.65 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.02 33.04 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 59.07 111.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.721 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -102.21 -89.17 2.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.064 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.841 ' HB ' ' HE2' ' A' ' 27' ' ' HIS . 21.0 m -157.46 -110.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.386 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.613 ' N ' HG22 ' A' ' 17' ' ' THR . 1.2 m -144.98 108.44 4.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.926 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 95.2 m 41.24 87.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.73 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t90 -141.88 -50.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 12.6 tptm 72.08 130.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.483 ' O ' ' O ' ' A' ' 25' ' ' THR . 3.4 t -177.78 -177.03 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.543 ' O ' ' HB3' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 50.87 25.07 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.119 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.543 ' HB3' ' O ' ' A' ' 23' ' ' SER . 2.8 tt 73.5 5.55 4.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.635 1.209 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -129.06 130.47 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.502 ' CB ' ' HA ' ' A' ' 38' ' ' LEU . 2.3 m -60.62 71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.841 ' HE2' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -44.41 -23.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.576 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.926 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.8 m-85 -21.42 77.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.787 ' N ' ' O ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER 156.43 -167.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.3 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.687 ' CA ' ' HZ3' ' A' ' 11' ' ' LYS . 1.6 t -153.86 -51.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.397 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 32' ' ' LYS . . . 138.34 113.18 1.14 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.691 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 74.2 -53.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.486 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 46.9 p -99.14 74.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.851 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 17.4 p -170.79 -165.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 108.313 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 52.1 t0 168.36 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.602 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 62.6 m -115.79 158.32 42.39 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 108.329 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.604 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.06 144.58 30.2 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.877 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 2.3 mp -135.27 60.15 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.716 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.688 HG21 ' HB3' ' A' ' 9' ' ' GLN . 2.6 m -50.55 -131.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -101.33 -111.5 3.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.919 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.0 21.51 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 19.7 p 51.88 -59.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 108.394 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 1.291 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 1.4 m -39.97 107.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 108.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.567 ' HG2' ' C ' ' A' ' 7' ' ' CYS . 4.5 mmm180 89.51 -14.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.945 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 3.9 mm-40 -147.15 70.01 1.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.242 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.945 ' SG ' ' O ' ' A' ' 9' ' ' GLN . 63.0 m 140.32 -58.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.857 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -50.64 -3.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.708 ' H ' ' C ' ' A' ' 10' ' ' CYS . 1.3 pp -36.44 -25.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 1.012 ' NZ ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -52.52 172.44 0.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.687 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.98 44.79 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.601 1.843 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 57.53 148.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.559 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -145.48 -83.75 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 ' H ' ' A' ' 18' ' ' THR . 3.1 m -156.88 -145.36 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.495 ' H ' HG22 ' A' ' 17' ' ' THR . 1.8 t -124.1 5.84 8.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.364 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.715 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 164.48 60.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 108.274 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.656 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 42.3 t-105 -111.01 -71.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 0.0 OUTLIER 74.94 119.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 23' ' ' SER . 63.9 p -78.08 -111.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 110.482 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' ' OG1' ' A' ' 22' ' ' THR . 1.5 m -147.86 17.0 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.077 . . . . 0.0 110.002 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.12 -71.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.012 HG23 ' NZ ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -61.06 -47.16 87.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.581 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 0.4 OUTLIER 71.56 88.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.037 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.899 ' O ' HD22 ' A' ' 38' ' ' LEU . 19.4 m-70 -58.38 -104.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.657 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.715 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER 65.41 33.73 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.997 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 11.5 t 174.92 169.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 108.274 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.551 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -129.28 -76.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.672 ' HA2' ' HG2' ' A' ' 11' ' ' LYS . . . 178.5 110.72 0.28 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.764 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.0 OUTLIER 66.81 95.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.474 0.75 . . . . 0.0 109.326 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.764 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 58.0 m 123.23 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.059 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 1.291 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 27.6 p 28.57 -141.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 108.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 2.2 m-20 149.0 58.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.62 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -167.27 148.48 5.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.269 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.605 ' C ' HD23 ' A' ' 38' ' ' LEU . 18.3 Cg_endo -75.04 140.44 25.34 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.57 1.826 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.944 HD21 ' HB2' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -104.21 45.81 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 1.095 ' N ' ' HG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' A' ' 9' ' ' GLN . 8.1 m -133.68 -95.38 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.477 ' N ' HG22 ' A' ' 3' ' ' THR . . . -130.66 -115.58 1.75 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.743 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -75.04 7.64 2.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.062 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 13.8 p 62.4 -54.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.072 . . . . 0.0 108.36 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.793 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -49.6 82.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 108.28 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.711 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 2.8 mmm180 99.7 -13.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 1.013 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 3.9 mt-30 -146.35 75.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 1.095 ' HG ' ' N ' ' A' ' 2' ' ' THR . 2.7 t 138.3 -55.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.239 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.876 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -69.54 37.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.612 ' H ' ' C ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -48.38 -14.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.831 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -59.23 158.84 17.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.896 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.04 48.91 2.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 71.56 119.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' CA ' ' CG ' ' A' ' 27' ' ' HIS . . . -114.84 -100.72 2.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.393 1.058 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 29' ' ' CYS . 75.6 m -145.5 -119.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 19' ' ' CYS . 4.3 m -161.24 116.94 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 39.7 m 37.79 58.87 1.36 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 108.344 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.598 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 3.6 t-105 -128.16 -71.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 107.94 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 89.2 122.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.542 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 73.1 p -77.38 179.68 6.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.173 . . . . 0.0 110.41 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.98 ' C ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -88.91 12.65 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.98 HD13 ' C ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -130.48 -76.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.753 HG22 ' N ' ' A' ' 26' ' ' SER . 1.6 m -93.03 -100.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.454 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.753 ' N ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER 176.43 115.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CG ' ' CG2' ' A' ' 22' ' ' THR . 36.9 m170 -100.92 30.8 3.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -68.78 44.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.018 ' HB3' HD21 ' A' ' 38' ' ' LEU . 16.2 t 173.88 167.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 108.258 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.563 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -122.07 -43.55 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.718 ' HA2' ' HZ2' ' A' ' 11' ' ' LYS . . . 128.42 107.6 1.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.793 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 18.2 tptp 79.19 107.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.805 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.7 t 87.17 52.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 28.2 m -134.7 -168.82 2.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 5' ' ' PRO . 40.4 t0 173.09 40.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.459 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -131.56 141.3 41.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.05 137.14 21.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.018 HD21 ' HB3' ' A' ' 29' ' ' CYS . 2.1 mp -107.7 56.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.556 ' CD1' ' C ' ' A' ' 39' ' ' TYR . 1.6 p90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.993 ' N ' ' HG ' ' A' ' 10' ' ' CYS 0.82 0.5 OUTLIER . . . . . 2 N--CA 0.821 -31.921 1 N-CA-C 126.232 5.642 . . . . 3.11 126.232 . . . . . . . . . 5 3 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 10' ' ' CYS . 90.4 m -104.67 -94.81 0.34 Allowed 'General case' 1 C--N 1.014 -13.992 3 O-C-N 103.89 -11.756 . . . . 1.08 110.488 -179.997 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.414 ' HA3' ' HD3' ' A' ' 5' ' ' PRO . . . -122.44 -116.1 2.33 Favored Glycine 0 C--N 1.286 -2.247 0 N-CA-C 111.86 -0.496 . . . . 0.76 111.86 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.522 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo -73.95 8.47 2.02 Favored 'Trans proline' 0 C--O 1.155 -3.633 0 O-C-N 124.887 1.993 . . . . 0.71 111.406 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 1.101 ' HA ' ' HB3' ' A' ' 10' ' ' CYS . 3.9 p 57.92 -60.2 0.03 OUTLIER 'General case' 1 C--O 0.684 -28.7 0 CA-C-O 128.136 3.827 . . . . 1.58 107.501 -179.91 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.914 ' SG ' ' CB ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -45.44 80.43 0.0 OUTLIER 'General case' 2 C--N 0.972 -15.812 3 O-C-N 90.762 -19.961 . . . . 0.94 108.38 179.921 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.746 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 27.7 tpt180 111.38 -11.11 0.01 OUTLIER 'General case' 0 C--N 1.261 -3.275 0 O-C-N 120.947 -1.095 . . . . 3.3 110.755 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.478 ' HB3' HG21 ' A' ' 3' ' ' THR . 2.6 mt-30 -138.98 -63.32 0.53 Allowed 'General case' 1 C--O 0.64 -31.006 1 CA-C-O 130.597 4.999 . . . . 2.31 111.931 -179.956 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 1.139 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 21.3 t -88.37 -13.73 39.88 Favored 'General case' 2 C--N 0.917 -18.233 3 O-C-N 86.289 -22.757 . . . . 1.39 111.133 -179.992 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 1.442 ' NZ ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -101.22 33.6 2.83 Favored 'General case' 1 C--N 1.231 -4.575 0 O-C-N 119.44 -2.037 . . . . 2.21 109.456 179.976 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 pp -53.49 -17.75 2.25 Favored 'General case' 0 C--N 1.26 -3.321 0 N-CA-C 109.408 -0.59 . . . . 1.02 109.408 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 1.079 ' HE2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.65 167.21 1.92 Allowed Pre-proline 0 C--N 1.292 -1.907 0 CA-C-N 115.812 -0.631 . . . . 2.1 109.839 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.702 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -75.21 55.79 4.17 Favored 'Trans proline' 1 C--O 0.919 -15.445 0 CA-C-O 126.609 2.67 . . . . 1.39 111.895 179.947 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.702 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 45.92 131.52 0.0 OUTLIER 'General case' 2 C--N 1.043 -12.72 2 O-C-N 106.777 -9.952 . . . . 0.94 110.225 179.998 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.618 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -134.77 -93.65 0.46 Allowed Glycine 2 C--O 0.734 -31.134 0 CA-C-O 123.841 1.8 . . . . 1.5 112.165 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.781 HG22 ' H ' ' A' ' 18' ' ' THR . 35.6 m -147.48 -171.38 3.78 Favored 'General case' 2 C--N 1.023 -13.617 3 O-C-N 98.627 -14.455 . . . . 1.05 111.108 179.943 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.781 ' H ' HG22 ' A' ' 17' ' ' THR . 0.7 OUTLIER -102.05 109.35 21.04 Favored 'General case' 2 C--O 0.849 -19.976 0 CA-C-O 128.352 3.929 . . . . 1.37 111.005 -179.942 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.881 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 96.6 m 53.67 65.46 1.51 Allowed 'General case' 1 C--N 0.994 -14.854 3 O-C-N 100.752 -13.718 . . . . 0.78 108.252 179.96 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.506 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 2.8 t-105 -122.69 -62.12 1.39 Allowed 'General case' 1 C--O 1.006 -11.736 0 CA-C-O 118.052 -0.975 . . . . 3.18 109.354 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 1.495 ' NZ ' ' CD ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 73.88 127.09 0.04 OUTLIER 'General case' 1 C--N 1.213 -5.34 0 CA-C-N 123.93 3.059 . . . . 3.03 113.478 179.965 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.596 HG21 ' CE1' ' A' ' 27' ' ' HIS 0.448 13.0 p -93.15 -133.18 0.15 Allowed 'General case' 2 C--O 0.503 -38.215 0 N-CA-C 120.17 3.396 . . . . 1.68 120.17 -179.978 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.398 0.5 OUTLIER -128.04 1.42 5.9 Favored 'General case' 4 C--N 0.826 -22.17 4 O-C-N 90.638 -20.039 . . . . 2.72 116.178 -179.907 . . . . . . . . 5 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.699 ' C ' ' HG ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -143.28 -51.42 0.35 Allowed 'General case' 3 C--N 0.955 -16.556 1 O-C-N 110.983 -7.323 . . . . 2.91 112.885 -179.915 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 1.224 ' O ' ' CA ' ' A' ' 26' ' ' SER . 1.2 m -103.95 -42.08 5.68 Favored 'General case' 2 C--O 0.52 -37.34 2 CA-C-O 145.357 12.027 . . . . 2.01 111.893 179.997 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 1.224 ' CA ' ' O ' ' A' ' 25' ' ' THR . 3.3 m 94.49 91.61 0.01 OUTLIER 'General case' 1 C--N 0.818 -22.523 3 O-C-N 58.904 -39.873 . . . . 1.37 109.944 -179.934 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.618 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -76.47 -16.53 59.65 Favored 'General case' 2 C--O 0.534 -36.563 1 CA-C-O 136.705 7.907 . . . . 1.96 109.846 -179.969 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 1.432 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -18.94 43.4 0.0 OUTLIER 'General case' 2 C--N 0.89 -19.407 3 O-C-N 70.976 -32.327 . . . . 1.42 111.023 -179.931 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.013 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER 176.68 -169.41 0.06 Allowed 'General case' 1 C--O 1.149 -4.207 0 C-N-CA 123.542 0.737 . . . . 1.03 109.057 179.993 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 1.174 ' CG2' ' CA ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -146.79 -42.57 0.19 Allowed 'General case' 1 C--O 1.142 -4.56 0 CA-C-O 122.073 0.939 . . . . 1.46 110.805 179.949 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.724 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 133.07 113.29 1.42 Allowed Glycine 1 C--N 1.239 -4.821 0 O-C-N 120.276 -1.515 . . . . 0.66 111.048 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 1.468 ' CB ' ' CE ' ' A' ' 32' ' ' LYS . 4.5 tmtt? 74.93 36.11 0.57 Allowed 'General case' 2 C--O 0.378 -44.769 1 CA-C-O 154.876 16.56 . . . . 3.83 111.975 179.93 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 1.213 ' CA ' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 165.68 49.89 0.0 OUTLIER 'General case' 3 C--N 0.811 -22.823 3 O-C-N 38.205 -52.809 . . . . 1.65 112.933 179.968 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 1.19 ' SG ' ' CA ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -137.03 -164.9 1.66 Allowed 'General case' 2 C--N 1.078 -11.238 1 O-C-N 109.574 -8.204 . . . . 1.19 108.228 179.976 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.568 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 11.2 t0 173.16 44.65 0.0 OUTLIER 'General case' 0 C--O 1.156 -3.866 0 CA-C-O 122.878 1.323 . . . . 2.34 109.883 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 1.1 m -131.39 148.19 69.14 Favored Pre-proline 1 C--N 1.229 -4.634 0 O-C-N 120.387 -1.446 . . . . 0.66 108.429 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.03 138.47 23.01 Favored 'Trans proline' 0 C--O 1.184 -2.193 0 C-N-CA 121.489 1.459 . . . . 0.75 111.847 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.013 HD21 ' HB2' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -115.82 60.17 0.72 Allowed 'General case' 0 C--O 1.189 -2.086 0 N-CA-C 108.814 -0.81 . . . . 1.0 108.814 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . 0.262 30.5 t80 . . . . . 2 C--O 0.963 -14.021 0 N-CA-C 115.269 1.581 . . . . 4.27 115.269 -179.996 . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.49 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 36.8 m -152.83 60.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 0.0 110.363 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.458 ' H ' ' CB ' ' A' ' 10' ' ' CYS . 25.7 m -70.36 -52.76 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.413 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.21 -108.46 0.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.141 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 1.007 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -74.91 4.36 4.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.442 1.759 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.781 ' C ' ' HB3' ' A' ' 11' ' ' LYS . 5.9 p 44.91 -62.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 108.335 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.007 ' N ' ' O ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -37.74 104.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 108.312 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 1.7 ptt85 84.16 -42.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.391 1.057 . . . . 0.0 110.352 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 6' ' ' CYS . 2.3 mt-30 -77.84 -83.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 1.033 ' O ' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -108.83 64.98 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.781 ' HB3' ' C ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -166.27 92.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 pp -108.42 1.28 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.745 ' CD ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.35 160.13 0.32 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.05 47.81 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.228 0 O-C-N 124.441 1.758 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . 50.65 99.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.544 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -106.76 -101.81 2.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 18' ' ' THR . 13.1 m -156.93 -179.24 8.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 0.784 . . . . 0.0 110.385 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' THR . 3.2 m -83.69 127.71 33.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 0.0 110.356 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.597 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 93.6 m 40.86 57.33 2.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.537 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -106.36 -70.92 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.573 1.171 . . . . 0.0 108.0 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 69.74 130.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.534 ' O ' ' CB ' ' A' ' 23' ' ' SER . 33.1 p -91.03 -73.59 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.372 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 22' ' ' THR . 1.2 m 155.18 40.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.74 -42.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.698 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -115.95 -63.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.404 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.698 ' CB ' ' O ' ' A' ' 25' ' ' THR . 5.0 t 105.07 109.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.655 ' O ' HD22 ' A' ' 38' ' ' LEU . 6.3 m-70 -80.22 -58.08 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.586 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.87 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 2.1 m-85 20.91 52.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.87 ' SG ' ' O ' ' A' ' 28' ' ' TYR . 16.6 m 165.24 -123.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 108.323 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.613 ' CB ' ' O ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER 157.7 -18.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.366 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.742 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 92.87 103.44 1.56 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.753 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.9 tptt 138.51 -96.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -113.37 82.25 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.474 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 17.4 m -129.31 -172.57 2.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 108.26 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -174.78 35.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.497 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 9.5 m -122.16 136.8 26.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.414 1.071 . . . . 0.0 108.23 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.587 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -74.99 117.58 4.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.033 HD11 ' O ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -96.02 71.74 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.509 ' CG ' ' O ' ' A' ' 39' ' ' TYR . 2.9 t80 170.42 93.41 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 122.07 6.98 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.494 1.786 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.607 ' N ' ' HB3' ' A' ' 10' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.4 OUTLIER 174.14 -14.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.494 ' O ' ' O ' ' A' ' 2' ' ' THR . 24.5 m -56.53 -123.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.37 -107.55 3.04 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.539 1.15 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.836 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.07 5.23 4.14 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.478 1.778 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.943 ' SG ' HD11 ' A' ' 38' ' ' LEU . 13.2 p 57.72 -48.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 108.253 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.879 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.3 m -45.74 100.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.077 . . . . 0.0 108.309 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.552 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER 88.37 -23.06 0.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.599 1.187 . . . . 0.0 110.263 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.598 ' N ' ' O ' ' A' ' 6' ' ' CYS . 7.5 mm-40 -91.4 -91.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.749 ' H ' ' HA ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -113.33 64.35 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 108.308 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.879 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -149.63 28.5 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 13' ' ' LYS . 2.9 pp -55.58 -11.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 1.116 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -39.03 160.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -74.98 36.79 0.45 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.433 1.754 . . . . 0.0 110.997 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HB1' ' OG1' ' A' ' 30' ' ' THR . . . 60.53 133.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.655 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -144.55 -125.44 1.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 29' ' ' CYS . 18.9 m -122.37 165.6 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 110.44 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.1 m -82.63 138.19 34.25 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.566 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 4.0 m 36.56 54.99 1.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.481 1.113 . . . . 0.0 108.328 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.483 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 15.2 t-105 -113.6 -64.9 1.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.546 1.154 . . . . 0.0 107.948 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 2.5 tptm 71.92 117.77 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.614 ' O ' ' CB ' ' A' ' 23' ' ' SER . 44.6 p -75.73 -15.12 60.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 110.411 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.614 ' CB ' ' O ' ' A' ' 22' ' ' THR . 2.3 t 94.83 -10.8 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.525 1.141 . . . . 0.0 109.944 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -115.95 -71.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.616 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -90.5 -47.42 7.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.616 ' CB ' ' O ' ' A' ' 25' ' ' THR . 2.4 m 95.69 133.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.771 ' O ' ' N ' ' A' ' 29' ' ' CYS . 63.3 m170 -109.31 -51.76 2.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.617 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 1.6 m-85 24.05 34.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.913 ' SG ' HD11 ' A' ' 38' ' ' LEU . 1.3 p 160.23 -172.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 0.0 108.303 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.535 ' OG1' ' HB1' ' A' ' 15' ' ' ALA . 8.9 t -137.7 -42.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.548 ' N ' ' HD2' ' A' ' 11' ' ' LYS . . . 145.52 115.97 0.99 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.446 1.091 . . . . 0.0 111.015 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.637 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER 76.91 -75.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.33 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.01 75.6 10.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.946 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.644 ' HB2' ' CB ' ' A' ' 29' ' ' CYS . 13.8 p -147.87 -161.06 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.222 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 168.85 75.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.506 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 170.89 136.01 0.07 OUTLIER Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.617 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -74.93 147.01 33.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.462 1.77 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.116 HD22 ' CD ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -104.41 80.81 1.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -178.95 156.23 0.87 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.034 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -75.01 -53.01 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.452 1.764 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.654 ' HB ' ' O ' ' A' ' 1' ' ' CYS . 2.0 t 167.29 72.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.439 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.823 HG21 ' HB3' ' A' ' 9' ' ' GLN . 23.2 m -143.41 -126.0 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.088 . . . . 0.0 110.395 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.89 -131.19 4.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.728 ' O ' ' C ' ' A' ' 6' ' ' CYS . 18.5 Cg_endo -74.95 58.37 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.574 1.829 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.788 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER -4.73 104.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 108.372 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.814 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER 159.58 44.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.55 1.156 . . . . 0.0 108.299 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.594 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 4.0 tpm_? 149.55 -13.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.174 . . . . 0.0 110.298 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.823 ' HB3' HG21 ' A' ' 3' ' ' THR . 5.5 mm-40 -140.09 -72.66 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.337 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 14.2 t -54.38 -48.69 71.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 108.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.814 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -76.93 53.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.93 -9.36 4.12 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.816 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.37 162.85 16.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.0 39.53 0.6 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.497 1.788 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 60.95 124.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.207 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.11 -95.27 0.68 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.673 1.233 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.552 ' O ' ' N ' ' A' ' 29' ' ' CYS . 81.4 m -152.65 151.74 30.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 0.772 . . . . 0.0 110.453 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.531 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.0 OUTLIER -73.06 133.84 44.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.58 1.175 . . . . 0.0 110.399 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.706 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 4.5 m 32.47 57.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 108.303 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.497 ' CB ' ' HB ' ' A' ' 17' ' ' THR . 24.3 t-105 -115.8 -64.08 1.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 108.045 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 11.5 tptp 73.87 126.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.426 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 35.7 p -116.9 171.52 7.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.361 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.72 0.6 33.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.3 tp -109.28 -45.64 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.539 ' O ' ' N ' ' A' ' 27' ' ' HIS . 26.3 m -156.6 118.02 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.629 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 5.1 t -49.23 87.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.956 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' N ' ' O ' ' A' ' 25' ' ' THR . 32.3 m170 -91.8 98.83 11.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.545 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.841 ' H ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -108.82 25.77 11.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.091 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.769 ' SG ' HD21 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -165.21 -154.7 0.22 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.55 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 11.5 m -155.81 -35.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.158 . . . . 0.0 110.389 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 32' ' ' LYS . . . 135.24 119.96 1.98 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.429 1.081 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.757 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 57.78 122.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.553 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 85.14 43.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.667 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -154.97 163.42 40.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.575 1.172 . . . . 0.0 108.244 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -160.88 34.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.788 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -103.51 147.09 33.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 108.316 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' HB2' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -74.98 127.66 10.88 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.85 HD12 ' SG ' ' A' ' 1' ' ' CYS . 0.8 OUTLIER -107.11 35.27 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.244 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' O ' ' CB ' ' A' ' 26' ' ' SER . 41.1 t80 -60.04 114.6 10.21 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 1' ' ' CYS . 18.6 Cg_endo -74.96 -66.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.463 1.77 . . . . 0.0 111.05 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' C ' ' CE1' ' A' ' 39' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.919 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.539 ' N ' ' HB3' ' A' ' 39' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 39' ' ' TYR . 73.5 p -140.38 18.33 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.36 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.589 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 21.0 m -40.38 -65.15 0.44 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.56 1.162 . . . . 0.0 110.391 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.431 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -135.76 -126.33 2.57 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.449 1.093 . . . . 0.0 111.069 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.755 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.6 Cg_endo -74.97 13.62 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 110.984 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.844 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 3.8 p 60.74 -50.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 108.29 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -48.73 122.61 5.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.401 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.608 ' CG ' ' O ' ' A' ' 8' ' ' ARG . 6.8 tpt180 68.35 2.16 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.561 ' N ' ' O ' ' A' ' 6' ' ' CYS . 19.6 mt-30 -128.49 -91.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.374 1.046 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.741 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 8.4 m -68.41 -25.95 65.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.07 . . . . 0.0 108.287 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.929 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -81.17 37.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' H ' ' C ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -56.79 -3.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.352 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 1.031 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -91.01 158.16 42.08 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 54.46 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 30' ' ' THR . . . 65.17 175.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.59 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . 159.37 44.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 29' ' ' CYS . 3.2 m 82.82 176.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.483 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -119.18 146.19 45.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.651 ' HA ' ' CD1' ' A' ' 28' ' ' TYR . 1.6 m 36.16 62.66 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.277 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.444 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 6.4 t90 -129.49 -62.51 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.499 ' HA ' ' N ' ' A' ' 27' ' ' HIS . 2.6 mtpm? 72.51 122.61 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.548 ' CG2' ' CD2' ' A' ' 27' ' ' HIS . 14.2 p -96.34 173.55 7.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.435 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.25 12.41 31.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.886 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.73 -48.74 2.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.829 HG22 ' N ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -123.48 -83.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.48 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.829 ' N ' HG22 ' A' ' 25' ' ' THR . 1.0 OUTLIER 151.68 92.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.993 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.765 ' O ' ' HD1' ' A' ' 28' ' ' TYR . 5.6 m-70 -87.66 166.97 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.93 ' N ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 166.91 25.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.932 ' SG ' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 175.0 -165.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 108.275 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.589 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 3.5 m -127.14 -41.41 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.397 1.06 . . . . 0.0 110.388 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.697 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 129.72 110.21 1.42 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.531 1.145 . . . . 0.0 111.031 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.697 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER 145.12 -100.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 0.0 109.173 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.1 p -125.99 70.67 1.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.989 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 1.26 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 7.9 p -94.91 -173.68 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 108.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -149.15 34.78 0.73 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.488 1.118 . . . . 0.0 109.349 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.581 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 1.7 m -139.62 112.41 7.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 108.288 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.618 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.3 Cg_endo -74.99 127.57 10.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.031 HD22 ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -92.28 110.18 21.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.215 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.596 ' CD1' ' HB3' ' A' ' 26' ' ' SER . 0.1 OUTLIER 80.08 140.91 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.06 166.46 29.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.547 1.814 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.585 HG21 HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -143.73 -49.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.913 ' H ' ' HB2' ' A' ' 10' ' ' CYS . 1.5 m -118.58 -88.61 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.638 1.211 . . . . 0.0 110.4 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.545 ' N ' HG22 ' A' ' 3' ' ' THR . . . -128.75 -100.06 0.97 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.549 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -75.03 -10.46 21.17 Favored 'Trans proline' 0 C--N 1.362 1.24 0 O-C-N 124.594 1.839 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.91 ' CA ' ' HB3' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 73.11 -55.55 0.68 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.067 . . . . 0.0 108.272 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.779 ' O ' ' CG ' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -53.04 68.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.334 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.817 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER 135.73 -18.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.704 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -138.72 -87.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.405 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 1.074 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -41.74 -26.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.372 1.045 . . . . 0.0 108.282 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.857 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -95.14 31.98 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.704 ' N ' ' O ' ' A' ' 9' ' ' GLN . 2.6 pp -41.67 -32.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.986 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.47 163.99 0.69 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.534 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 14.0 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 73.05 139.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' HA3' ' ND1' ' A' ' 27' ' ' HIS . . . -132.0 -60.72 0.09 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.51 ' HB ' ' CB ' ' A' ' 20' ' ' TRP . 96.8 m -158.5 156.18 29.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.481 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.3 m -74.39 121.77 21.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.586 1.178 . . . . 0.0 110.355 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.736 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.3 m 35.45 61.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.528 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 1.2 t-105 -115.59 -60.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HB2' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 89.43 125.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.377 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.762 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 18.2 p -80.46 18.03 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 110.363 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.432 ' HB3' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 70.64 2.53 4.15 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 23' ' ' SER . 0.0 OUTLIER -157.74 -82.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.0 OUTLIER -48.98 -44.6 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.369 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.597 ' HB2' ' N ' ' A' ' 39' ' ' TYR . 2.6 m 86.0 89.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.036 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.762 ' CG ' ' CG2' ' A' ' 22' ' ' THR . 17.1 m170 -87.97 10.23 19.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.566 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.736 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -50.71 83.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.06 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.802 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 163.66 -158.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 108.297 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -156.08 -41.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 110.475 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.775 ' O ' ' CB ' ' A' ' 32' ' ' LYS . . . 109.43 108.25 3.16 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.775 ' CB ' ' O ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 122.61 -92.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 0.7 . . . . 0.0 109.379 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.526 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.5 m -108.99 85.64 2.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.928 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.665 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 12.5 m -143.33 -151.73 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.365 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p30 164.64 41.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 33.2 m -114.41 149.12 41.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 108.326 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.76 ' HA ' ' HA ' ' A' ' 1' ' ' CYS . 18.5 Cg_endo -75.01 139.54 24.38 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.986 HD22 ' HD3' ' A' ' 13' ' ' LYS . 1.4 mp -131.18 72.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.249 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.597 ' N ' ' HB2' ' A' ' 26' ' ' SER . 33.1 t80 -176.34 146.92 0.79 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.153 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.49 ' HD2' ' CG ' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -75.06 126.56 10.0 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.58 ' C ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.508 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -146.98 14.49 1.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.672 HG21 ' HG2' ' A' ' 9' ' ' GLN . 26.9 m -50.18 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.621 1.201 . . . . 0.0 110.37 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -127.81 -134.15 3.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.829 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.08 34.01 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.867 ' CB ' HD21 ' A' ' 38' ' ' LEU . 26.3 p 56.85 -56.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 108.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.829 ' N ' ' O ' ' A' ' 5' ' ' PRO . 45.6 m -52.46 97.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 108.279 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.744 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER 110.94 6.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.362 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.672 ' HG2' HG21 ' A' ' 3' ' ' THR . 3.3 mp0 -157.22 -86.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.723 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 5.0 m -58.92 -23.88 61.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.27 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 1.091 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -79.25 6.86 8.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' LYS . 3.0 pp -38.72 -32.14 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.626 ' NZ ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -62.95 167.68 5.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 0.0 109.369 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.607 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -74.97 42.26 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.429 1.752 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 57.41 148.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.621 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -140.26 -106.64 0.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' HB3' ' A' ' 20' ' ' TRP . 1.2 m -132.49 161.06 34.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 0.825 . . . . 0.0 110.464 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.604 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -68.11 119.01 12.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.838 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 25.75 66.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 108.4 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.592 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 28.0 t-105 -178.29 91.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 107.987 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.557 ' C ' ' OG1' ' A' ' 22' ' ' THR . 0.6 OUTLIER -173.05 -113.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 109.199 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.557 ' OG1' ' C ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER 51.87 -175.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.64 3.83 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -151.6 -37.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.173 . . . . 0.0 109.21 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.64 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.8 OUTLIER -159.85 -45.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.612 1.195 . . . . 0.0 110.382 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.64 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.4 m 99.18 89.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.115 . . . . 0.0 109.993 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.621 ' CD2' ' HA3' ' A' ' 16' ' ' GLY . 4.2 m80 -94.63 -51.7 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.629 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.838 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER 20.57 62.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.549 ' HB2' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 179.85 -148.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 108.296 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.561 ' CG2' ' O ' ' A' ' 30' ' ' THR . 0.9 OUTLIER -161.97 11.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.612 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 55.63 121.78 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.422 1.076 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.67 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 77.64 -69.91 0.13 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.46 86.73 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.945 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.569 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 18.3 p -157.96 -164.7 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER 179.92 69.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.831 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 1.8 m -169.98 154.24 5.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 108.27 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.95 ' C ' HD23 ' A' ' 38' ' ' LEU . 18.3 Cg_endo -74.97 136.7 20.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 111.081 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.147 HD23 ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -111.53 48.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.579 ' HA ' ' CB ' ' A' ' 26' ' ' SER . 4.4 t80 172.35 150.68 0.21 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 39' ' ' TYR . 18.6 Cg_endo -75.04 168.78 24.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.584 1.834 . . . . 0.0 111.034 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.554 1.158 . . . . 0.0 111.035 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.944 ' H1 ' ' CB ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.676 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 1.1 m -119.03 -44.96 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.908 ' H ' ' HA ' ' A' ' 10' ' ' CYS . 84.8 m -115.14 -80.74 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.554 1.159 . . . . 0.0 110.447 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.857 ' O ' ' SG ' ' A' ' 10' ' ' CYS . . . -112.29 -123.08 4.16 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -74.98 -20.51 16.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.4 1.737 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.741 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER 93.97 150.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 108.272 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.966 ' O ' ' N ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 94.33 31.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.354 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.62 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 48.7 tpt85 173.34 -10.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.681 ' HB3' HG21 ' A' ' 3' ' ' THR . 1.8 mt-30 -173.77 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.971 ' O ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -77.38 -4.61 46.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 108.306 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.62 ' HD2' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -129.6 25.52 5.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.775 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -36.83 -31.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.787 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -37.68 156.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.309 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.1 Cg_endo -75.07 53.92 3.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.57 1.827 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . 61.33 136.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.363 1.04 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.411 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -176.54 85.08 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.676 HG22 ' H ' ' A' ' 18' ' ' THR . 18.9 m 48.88 -179.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.676 ' H ' HG22 ' A' ' 17' ' ' THR . 4.7 t -117.57 12.25 14.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.365 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.682 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER 171.35 66.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 108.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.553 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 6.8 t-105 -119.77 -67.27 0.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HA ' ' N ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 74.59 118.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.352 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.3 p -111.11 -176.83 3.05 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.355 1.035 . . . . 0.0 110.351 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.76 -10.02 49.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.94 -33.56 8.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.703 HG22 ' HD2' ' A' ' 27' ' ' HIS . 4.2 m -161.93 120.05 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.581 1.175 . . . . 0.0 110.436 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.549 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -56.19 81.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.04 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.703 ' HD2' HG22 ' A' ' 25' ' ' THR . 56.4 m170 -73.94 86.47 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.682 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -127.15 43.99 3.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.076 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.861 ' HB2' HD11 ' A' ' 38' ' ' LEU . 1.4 m 172.69 167.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.527 HG23 ' SG ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -124.66 -57.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.412 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 7' ' ' CYS . . . 159.9 109.38 0.25 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.966 ' N ' ' O ' ' A' ' 7' ' ' CYS . 33.3 mmtt 62.8 125.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.582 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 3.2 t 91.82 20.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.934 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.592 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 2.4 m -130.46 176.64 7.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 108.254 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 5' ' ' PRO . 14.7 t70 -170.37 23.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -95.79 143.59 26.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.944 ' CB ' ' H1 ' ' A' ' 1' ' ' CYS . 18.5 Cg_endo -74.95 131.46 14.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.547 1.814 . . . . 0.0 111.094 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.971 HD13 ' O ' ' A' ' 10' ' ' CYS . 3.7 mp -108.06 55.9 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.562 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 2.1 t80 -168.85 149.6 4.24 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.562 ' HD2' ' CD2' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.99 65.12 6.06 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.08 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 22.3 p . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.749 HG22 ' C ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 158.05 -0.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 110.426 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.642 HG22 ' HB3' ' A' ' 9' ' ' GLN . 23.8 m -59.18 -102.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.461 ' N ' HG22 ' A' ' 3' ' ' THR . . . -126.93 -117.0 2.06 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.737 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.0 10.82 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.933 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 4.7 p 60.98 -56.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.806 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -49.87 72.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 108.238 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.815 ' N ' ' O ' ' A' ' 6' ' ' CYS . 9.5 tpt180 106.55 -11.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.895 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -150.5 77.38 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.242 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 1.252 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER 130.75 -28.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 108.333 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.841 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -91.99 26.17 2.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.473 1.108 . . . . 0.0 109.369 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' C ' HD12 ' A' ' 12' ' ' LEU . 1.6 pp -37.03 -31.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 109.284 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.945 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -41.67 163.58 0.11 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.482 ' HD2' ' HB3' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.05 44.16 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.465 1.771 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 60.1 115.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.246 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -114.38 -118.06 3.3 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.436 1.085 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.603 ' HB ' ' CB ' ' A' ' 20' ' ' TRP . 3.7 m -144.0 129.25 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.46 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 19' ' ' CYS . 1.1 m -34.88 129.8 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.409 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.607 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 2.9 m 27.18 56.15 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 108.2 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.603 ' CB ' ' HB ' ' A' ' 17' ' ' THR . 60.8 t-105 -97.79 -61.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 108.049 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' HA ' ' H ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 75.2 121.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.362 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.678 HG22 ' CD2' ' A' ' 27' ' ' HIS . 27.5 p -73.76 -144.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.428 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.1 19.19 19.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.962 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 25' ' ' THR . 7.8 tt -176.82 -67.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.757 HG22 ' N ' ' A' ' 26' ' ' SER . 1.3 m -52.55 -99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.45 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.757 ' N ' HG22 ' A' ' 25' ' ' THR . 25.7 t 150.98 97.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.613 1.195 . . . . 0.0 109.967 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.678 ' CD2' HG22 ' A' ' 22' ' ' THR . 2.8 m-70 -92.22 32.5 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.593 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.607 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -63.87 50.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.574 1.171 . . . . 0.0 111.008 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.837 ' HB3' HD21 ' A' ' 38' ' ' LEU . 17.9 t 176.31 171.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 108.311 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.637 HG23 ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -127.49 -44.74 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.43 1.081 . . . . 0.0 110.352 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.501 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 131.8 109.41 1.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.806 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER 67.97 112.69 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.439 0.729 . . . . 0.0 109.219 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.6 t 90.06 45.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.1 m -138.76 -164.68 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 108.251 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 166.15 40.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -118.84 147.59 42.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 108.342 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.574 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.04 124.36 8.54 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.457 1.767 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.945 HD22 ' HD3' ' A' ' 13' ' ' LYS . 2.1 mp -96.94 57.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.718 ' HD2' ' H2 ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 166.83 87.95 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 111.043 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 147.56 33.83 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.452 1.764 . . . . 0.0 110.971 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.128 . . . . 0.0 111.05 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.675 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.618 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 163.48 74.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.602 ' HB ' ' CB ' ' A' ' 10' ' ' CYS . 52.5 m -144.2 -100.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.75 -100.42 0.5 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.515 1.135 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.679 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -74.96 -5.05 16.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.516 1.798 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.707 ' HA ' ' N ' ' A' ' 10' ' ' CYS . 6.3 p 62.67 -55.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 108.26 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.743 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -50.19 103.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 108.267 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.735 ' CD ' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 80.13 5.38 1.82 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 6' ' ' CYS . 4.9 mt-30 -136.48 -101.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.707 ' N ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -58.0 -17.08 15.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.34 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.857 ' CG ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -98.5 72.99 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.88 10.5 15.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.641 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -100.45 -177.45 0.57 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.03 -167.07 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.588 1.836 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.568 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . -82.26 118.6 23.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.667 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -111.17 -97.17 2.39 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.544 1.153 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.566 HG22 ' N ' ' A' ' 18' ' ' THR . 29.0 m -162.16 175.22 11.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.566 ' N ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER -82.65 118.11 23.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 0.0 110.384 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.575 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 57.9 m 38.98 63.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.592 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 2.7 t90 -113.12 -76.46 0.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 107.975 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 89.57 121.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.729 ' CG2' ' CE1' ' A' ' 27' ' ' HIS . 73.0 p -75.94 -114.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.114 . . . . 0.0 110.35 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.75 16.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.61 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -152.2 -71.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.649 ' O ' ' CB ' ' A' ' 26' ' ' SER . 2.0 m -75.23 -56.82 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.338 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 25' ' ' THR . 3.9 t 100.12 107.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.729 ' CE1' ' CG2' ' A' ' 22' ' ' THR . 6.5 m-70 -67.8 -87.13 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER 44.08 37.18 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.94 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 8.2 t -179.26 -137.76 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 0.9 OUTLIER 166.93 -27.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.445 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.557 ' HA2' ' HG2' ' A' ' 11' ' ' LYS . . . 110.23 107.92 3.08 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.51 1.132 . . . . 0.0 111.082 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.743 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 68.71 112.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 109.335 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER 90.06 44.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.156 . . . . 0.0 110.054 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.894 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 20.8 m -135.89 -158.47 0.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.579 1.175 . . . . 0.0 108.346 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 2.6 p30 155.84 42.94 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.531 1.144 . . . . 0.0 109.243 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -130.87 149.48 73.8 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.157 . . . . 0.0 108.273 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.581 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.6 Cg_endo -74.98 131.53 14.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.811 . . . . 0.0 111.059 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.794 ' CD1' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -114.57 50.48 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CE2' ' O ' ' A' ' 40' ' ' PRO . 0.3 OUTLIER -133.46 165.24 38.22 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.568 ' O ' ' CE2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.07 161.73 38.1 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.906 0 O-C-N 124.469 1.106 . . . . 0.0 111.124 179.885 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.603 ' C ' HG22 ' A' ' 2' ' ' THR . 13.9 p . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.603 HG22 ' C ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 164.87 -15.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 110.372 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.561 HG22 ' OE1' ' A' ' 9' ' ' GLN . 91.9 m -58.33 -104.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.388 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.489 ' N ' ' OE1' ' A' ' 9' ' ' GLN . . . -124.64 -117.99 2.29 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.917 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.3 Cg_endo -75.02 13.9 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.493 1.786 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.844 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 20.0 p 54.79 -48.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.917 ' N ' ' O ' ' A' ' 5' ' ' PRO . 7.3 m -48.22 118.15 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.658 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 78.78 -24.21 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.561 ' OE1' HG22 ' A' ' 3' ' ' THR . 45.9 mt-30 -93.39 -86.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.911 ' O ' HD11 ' A' ' 38' ' ' LEU . 6.1 p -126.86 85.4 2.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.266 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.844 ' HB3' ' HB2' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -172.49 29.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -56.14 -11.56 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.8 ' HZ3' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -40.14 143.66 0.61 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.433 1.083 . . . . 0.0 109.381 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.501 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.2 Cg_endo -75.05 45.16 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.551 1.816 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 30' ' ' THR . . . 71.29 124.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.526 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -130.37 -74.98 0.14 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.574 1.171 . . . . 0.0 111.014 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.739 HG22 ' H ' ' A' ' 18' ' ' THR . 5.1 m -158.22 -163.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 0.804 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.739 ' H ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -129.82 126.29 37.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.624 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 1.5 m 38.63 66.88 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 0.0 108.349 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.654 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 11.8 t-105 -139.2 -73.64 0.38 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 108.016 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.654 ' CG ' ' O ' ' A' ' 20' ' ' TRP . 0.0 OUTLIER 99.71 136.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.579 ' O ' ' CB ' ' A' ' 23' ' ' SER . 22.1 p -80.79 -69.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.579 ' CB ' ' O ' ' A' ' 22' ' ' THR . 0.7 OUTLIER 153.29 -18.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.586 1.178 . . . . 0.0 109.929 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -118.1 -61.37 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.8 ' CG2' ' HZ3' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -84.28 -71.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 110.382 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.754 ' CB ' ' O ' ' A' ' 25' ' ' THR . 60.1 m 123.47 114.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.595 1.184 . . . . 0.0 109.958 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' O ' HD22 ' A' ' 38' ' ' LEU . 50.2 m170 -92.32 -95.64 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.718 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER 64.59 6.47 3.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.822 ' SG ' ' CD2' ' A' ' 38' ' ' LEU . 26.0 p 176.18 -158.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.514 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . 56.0 p -138.82 -63.3 0.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 110.432 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.858 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . 170.52 115.56 0.35 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.438 1.086 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 53.93 140.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 109.24 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 7.3 t 85.87 -35.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 29' ' ' CYS . 15.1 p -57.41 -159.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 108.32 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 t0 179.03 66.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.8 OUTLIER -178.17 127.74 0.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 108.259 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.718 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 18.4 Cg_endo -75.01 154.84 42.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.911 HD11 ' O ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -99.21 64.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -108.22 119.85 48.52 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 66.39 5.95 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.495 1.787 . . . . 0.0 111.054 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.9 ' N ' ' H ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.62 ' N ' ' HB3' ' A' ' 10' ' ' CYS . 1.5 m -75.31 -19.32 59.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.87 HG21 ' HB3' ' A' ' 9' ' ' GLN . 98.9 m -123.41 -108.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.398 1.061 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.701 ' N ' ' SG ' ' A' ' 10' ' ' CYS . . . -130.18 -96.47 0.76 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.474 ' O ' ' O ' ' A' ' 34' ' ' CYS . 18.3 Cg_endo -75.11 6.42 3.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.81 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 17.5 p 47.85 -134.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 108.308 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.774 ' C ' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER 36.8 52.64 1.04 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.354 1.034 . . . . 0.0 108.347 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.677 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 14.3 tpp180 142.4 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.87 ' HB3' HG21 ' A' ' 3' ' ' THR . 6.4 mt-30 -108.65 -81.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.723 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 1.8 m -49.68 -40.36 39.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 108.243 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.696 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -77.52 38.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -68.76 -9.14 49.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.696 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -65.12 -174.2 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.596 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.0 59.71 5.26 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.98 96.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.583 ' HA3' ' HZ3' ' A' ' 13' ' ' LYS . . . -70.51 -153.83 1.13 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.421 1.076 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' CYS . 34.8 m -121.77 -125.85 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.409 0.711 . . . . 0.0 110.352 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 19' ' ' CYS . 0.9 OUTLIER -123.61 103.09 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.369 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 1.03 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 86.7 m 29.88 80.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.606 1.192 . . . . 0.0 108.347 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.643 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 5.1 m95 -134.19 -60.95 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.009 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.548 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 65.51 135.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.686 HG23 ' CD2' ' A' ' 27' ' ' HIS . 27.9 p -100.33 -127.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.423 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.419 ' N ' ' OG1' ' A' ' 22' ' ' THR . 5.5 m -106.19 -6.79 18.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.48 -76.2 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -75.41 103.67 5.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 110.427 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.611 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -64.03 70.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.686 ' CD2' HG23 ' A' ' 22' ' ' THR . 4.1 p80 -61.06 68.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.579 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 1.03 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -105.87 18.28 22.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.978 ' SG ' HD11 ' A' ' 38' ' ' LEU . 11.6 m -152.16 -177.71 6.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 108.26 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.486 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 5.0 t -136.78 -35.1 0.73 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.505 ' C ' ' SG ' ' A' ' 7' ' ' CYS . . . 135.41 115.63 1.51 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.774 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 61.47 114.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.394 0.702 . . . . 0.0 109.353 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.629 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 3.4 t 97.87 29.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.583 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.5 m -139.42 169.68 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -166.24 30.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.652 ' CB ' ' HB3' ' A' ' 28' ' ' TYR . 92.0 m -100.31 165.48 14.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 108.371 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.762 ' CA ' ' H1 ' ' A' ' 1' ' ' CYS . 18.2 Cg_endo -75.06 149.66 36.76 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.978 HD11 ' SG ' ' A' ' 29' ' ' CYS . 1.1 mt -142.75 37.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.379 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.529 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 0.6 OUTLIER -159.79 151.83 17.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.06 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.02 161.95 37.88 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.563 1.823 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.948 ' SG ' ' O ' ' A' ' 4' ' ' GLY . 5.6 t . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 10' ' ' CYS . 1.1 m -171.48 -30.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.411 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.704 ' HB ' ' O ' ' A' ' 9' ' ' GLN . 1.8 m -149.09 -85.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.948 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -99.3 -139.07 10.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.518 ' O ' ' O ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo -74.95 13.85 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 111.001 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.959 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER 50.87 105.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.09 . . . . 0.0 108.292 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.831 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 1.6 m 141.85 43.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 108.265 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 8.7 tpp180 144.37 -10.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.704 ' O ' ' HB ' ' A' ' 3' ' ' THR . 3.7 mt-30 -173.66 56.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.771 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER 170.31 -39.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 108.294 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.684 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -87.88 15.17 7.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.51 1.131 . . . . 0.0 109.37 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.517 ' O ' ' O ' ' A' ' 13' ' ' LYS . 4.5 pp -35.46 -35.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.612 1.195 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.655 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.44 177.46 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.2 Cg_endo -75.03 113.24 3.75 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.455 1.766 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.87 ' HB1' HG23 ' A' ' 30' ' ' THR . . . -35.23 136.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.546 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -127.43 -86.04 0.53 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.568 HG22 ' H ' ' A' ' 18' ' ' THR . 6.0 m -157.41 -142.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 110.457 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.568 ' H ' HG22 ' A' ' 17' ' ' THR . 0.8 OUTLIER -119.74 123.9 44.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.8 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.3 m 33.41 77.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.594 ' O ' ' CG ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -134.39 -76.88 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.007 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.612 ' O ' ' HB ' ' A' ' 22' ' ' THR . 0.0 OUTLIER 93.06 125.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.612 ' HB ' ' O ' ' A' ' 21' ' ' LYS . 6.9 t 173.98 -168.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.489 ' N ' ' OG1' ' A' ' 22' ' ' THR . 0.5 OUTLIER 51.09 19.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER 78.07 -1.34 2.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 27' ' ' HIS . 27.6 m -125.64 111.52 15.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.675 ' O ' ' HA ' ' A' ' 38' ' ' LEU . 4.0 m -51.75 78.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.986 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.649 ' N ' ' O ' ' A' ' 25' ' ' THR . 3.1 m-70 -40.69 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.587 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.8 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.5 m-85 29.51 36.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.029 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER 170.95 -167.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 108.39 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.87 HG23 ' HB1' ' A' ' 15' ' ' ALA . 1.0 OUTLIER -159.11 -66.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.478 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.632 ' O ' ' CD ' ' A' ' 32' ' ' LYS . . . 167.58 116.39 0.36 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.714 ' H ' ' CA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 43.97 24.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.457 ' N ' ' C ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -153.69 51.28 0.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 110.024 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 1.029 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 20.3 p -165.31 -143.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 108.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 153.86 39.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 109.235 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.959 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -128.51 161.22 58.29 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.28 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.782 ' CA ' ' H1 ' ' A' ' 1' ' ' CYS . 17.9 Cg_endo -75.05 145.87 31.78 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.721 ' H ' ' CA ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -124.13 63.38 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.7 116.88 2.68 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -43.53 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.529 1.805 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 3.5 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.764 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 1.1 m -153.97 -4.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.372 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.799 ' N ' ' HB2' ' A' ' 10' ' ' CYS . 1.2 m -170.78 -79.67 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.552 1.157 . . . . 0.0 110.485 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.636 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -136.01 -106.27 0.82 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.642 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.2 Cg_endo -75.01 -3.3 13.72 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.767 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.939 ' HA ' ' HB3' ' A' ' 10' ' ' CYS . 1.7 p 64.95 -53.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.319 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.821 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -51.02 75.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 108.292 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.759 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER 109.33 -15.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.284 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.942 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 12.4 mt-30 -148.06 72.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 110.261 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.942 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER 132.66 -12.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.213 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.821 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -107.43 22.97 15.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HG ' ' CE ' ' A' ' 13' ' ' LYS . 3.0 pp -36.13 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.737 ' CD ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -45.76 156.1 0.46 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.686 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.01 31.26 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.432 1.753 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 84.55 151.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' THR . . . 174.95 86.85 0.06 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.442 1.089 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.798 HG22 ' H ' ' A' ' 18' ' ' THR . 21.1 m 45.19 -172.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 110.432 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.798 ' H ' HG22 ' A' ' 17' ' ' THR . 5.8 t -109.87 7.74 24.12 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.475 1.109 . . . . 0.0 110.445 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.786 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 1.4 m 173.5 77.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.346 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.631 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -118.7 -68.75 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 108.047 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.573 ' N ' ' HD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 79.63 124.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.451 ' CG2' ' CD2' ' A' ' 27' ' ' HIS . 52.2 p -84.43 -119.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.79 15.14 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 110.081 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.81 -71.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 26' ' ' SER . 0.8 OUTLIER -56.55 -51.92 66.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.344 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 10.1 m 83.56 92.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.087 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.733 ' C ' HD23 ' A' ' 38' ' ' LEU . 6.6 m-70 -65.09 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.571 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.786 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER 66.3 48.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.964 ' CB ' HD21 ' A' ' 38' ' ' LEU . 1.4 t 179.62 167.21 1.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 0.0 108.248 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.615 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 22.5 m -132.59 -58.38 0.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.635 1.21 . . . . 0.0 110.44 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.716 ' O ' ' HB3' ' A' ' 32' ' ' LYS . . . 152.89 111.68 0.47 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.615 1.197 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.716 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 82.65 -69.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.64 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 30.0 t -67.3 -98.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.571 1.169 . . . . 0.0 110.069 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.761 ' O ' ' CB ' ' A' ' 35' ' ' ASP . 27.2 p 23.2 -130.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 108.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.761 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 23.2 t70 124.64 47.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -138.16 159.23 69.07 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 108.335 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.688 ' CB ' ' N ' ' A' ' 1' ' ' CYS . 18.1 Cg_endo -75.1 145.31 30.97 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.964 HD21 ' CB ' ' A' ' 29' ' ' CYS . 2.1 mp -125.3 48.99 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.579 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 0.3 OUTLIER 167.81 140.67 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.956 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.579 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 18.1 Cg_endo -75.1 156.23 42.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.447 1.762 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.441 1.088 . . . . 0.0 111.028 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 1.105 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 1.022 HG21 HD23 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -162.36 -20.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.351 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.9 ' H ' ' HB2' ' A' ' 10' ' ' CYS . 7.6 m -152.27 -82.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.452 1.095 . . . . 0.0 110.508 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.02 -88.9 0.08 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.538 1.148 . . . . 0.0 111.033 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.528 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo -74.97 -18.49 18.78 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.882 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 0.5 OUTLIER 73.73 -55.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 108.329 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -55.1 74.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 108.332 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.767 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 6.7 tpm_? 123.47 -16.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.598 ' HB3' HG21 ' A' ' 3' ' ' THR . 27.2 mm-40 -134.15 -92.16 0.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.351 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 1.105 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 0.1 OUTLIER -44.09 -21.88 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 108.291 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.844 ' HZ2' ' HG2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -99.68 43.7 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.022 HD23 HG21 ' A' ' 2' ' ' THR . 0.6 OUTLIER -56.24 -23.58 36.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.855 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -68.98 164.78 44.34 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.646 ' O ' ' C ' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -74.87 147.27 34.3 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.436 1.756 . . . . 0.0 111.017 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.646 ' C ' ' O ' ' A' ' 14' ' ' PRO . . . -18.17 108.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.522 ' HA3' ' HB2' ' A' ' 27' ' ' HIS . . . -95.85 -106.05 2.17 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.562 1.164 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.677 HG22 ' H ' ' A' ' 18' ' ' THR . 11.8 m -157.35 -177.69 6.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.343 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.677 ' H ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -86.57 109.37 19.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.388 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.988 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 20.2 m 27.81 74.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 108.239 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.612 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 5.5 t-105 -123.82 -60.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 107.997 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 79.75 118.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.343 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.701 HG23 ' CG ' ' A' ' 27' ' ' HIS . 41.2 p -79.56 -71.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -174.97 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.44 1.087 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.38 -40.15 2.71 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.514 1.134 . . . . 0.0 109.358 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.811 HG23 ' HZ3' ' A' ' 13' ' ' LYS . 1.7 m -82.22 -32.94 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 110.483 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.663 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 2.9 m 57.22 72.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.701 ' CG ' HG23 ' A' ' 22' ' ' THR . 0.0 OUTLIER -74.06 93.47 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.572 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.988 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -118.08 9.25 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.951 ' SG ' HD11 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -146.93 -169.82 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.322 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 m -135.64 -14.38 1.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.573 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . 98.28 115.23 3.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.769 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 80.46 107.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 0.729 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.445 ' HB2' ' CD ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER 80.92 53.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.995 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.562 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 3.3 m -148.39 175.72 10.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 108.356 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -168.94 43.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.934 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 5.9 m -117.46 148.62 43.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 108.299 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.844 ' HA ' ' HA ' ' A' ' 1' ' ' CYS . 18.6 Cg_endo -74.99 145.15 31.12 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.951 HD11 ' SG ' ' A' ' 29' ' ' CYS . 1.9 mp -133.11 63.86 1.63 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.645 ' CD1' ' OG1' ' A' ' 2' ' ' THR . 0.1 OUTLIER -139.54 162.84 49.13 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 111.054 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -55.82 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.579 1.831 . . . . 0.0 111.046 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.906 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.896 ' SG ' ' O ' ' A' ' 4' ' ' GLY . 1.4 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.715 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 10.6 m -69.52 -67.71 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.434 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.651 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 47.0 m -71.07 -95.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.579 1.174 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.896 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -127.42 -99.25 1.03 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.557 1.16 . . . . 0.0 111.057 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.773 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.6 Cg_endo -74.88 -0.41 9.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.524 1.802 . . . . 0.0 111.053 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.094 ' HB2' HD12 ' A' ' 38' ' ' LEU . 8.5 p 68.17 -56.82 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 108.362 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.71 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.3 m -56.77 97.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 108.349 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.705 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 4.5 tpp180 103.81 5.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.529 ' HB3' ' CB ' ' A' ' 3' ' ' THR . 77.6 mt-30 -150.09 -81.66 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 1.156 . . . . 0.0 110.271 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.933 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -70.23 -19.45 63.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.427 1.08 . . . . 0.0 108.283 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 1.013 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -84.56 26.32 0.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 9' ' ' GLN . 0.4 OUTLIER -73.45 4.66 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.928 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -70.25 -169.83 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.667 ' CD ' ' CB ' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.07 8.75 2.3 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 73.14 124.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -138.67 -153.28 6.14 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.703 HG21 ' CE3' ' A' ' 20' ' ' TRP . 0.3 OUTLIER -78.49 149.27 33.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 0.753 . . . . 0.0 110.443 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.406 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 1.5 t -46.17 -22.76 0.26 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 0.0 110.388 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.78 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 19.5 m -162.86 66.38 0.2 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 108.314 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.703 ' CE3' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -94.78 -73.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.057 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.605 ' HB3' ' CD1' ' A' ' 28' ' ' TYR . 1.8 tptm 71.1 119.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.622 HG21 ' CE1' ' A' ' 27' ' ' HIS . 40.3 p -101.17 -141.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.38 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.99 10.01 18.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.34 -40.37 1.97 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.092 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.34 157.12 43.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.449 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 1.28 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -86.63 75.03 9.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 1.178 . . . . 0.0 109.973 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.644 ' C ' ' CD2' ' A' ' 38' ' ' LEU . 10.6 m170 -45.13 -17.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.615 1.197 . . . . 0.0 109.62 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 1.024 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 1.5 m-85 -31.17 87.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.867 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER 158.15 -172.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.604 1.19 . . . . 0.0 108.282 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.901 HG22 ' HB3' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -148.77 -61.08 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.354 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.591 ' O ' ' CD ' ' A' ' 32' ' ' LYS . . . 156.87 114.75 0.45 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.591 ' CD ' ' O ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 40.26 28.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.411 0.713 . . . . 0.0 109.333 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.47 ' N ' ' C ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -159.41 47.11 0.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.947 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.901 ' HB3' HG22 ' A' ' 30' ' ' THR . 23.9 p -155.48 -153.08 0.42 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER 169.67 35.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 1.024 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 36.5 m -112.67 169.93 5.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.32 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.681 ' HD2' ' HB3' ' A' ' 36' ' ' CYS . 18.5 Cg_endo -74.95 156.56 43.22 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.28 HD23 ' O ' ' A' ' 26' ' ' SER . 22.0 mt -147.02 49.99 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.478 ' CD2' ' O ' ' A' ' 40' ' ' PRO . 2.2 p90 -146.51 155.33 49.36 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.478 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 18.4 Cg_endo -75.05 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.387 1.73 . . . . 0.0 110.999 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.086 0 O-C-N 124.599 1.187 . . . . 0.0 110.9 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 38' ' ' LEU . 96.0 m -118.73 -9.36 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.752 HG21 ' HB3' ' A' ' 9' ' ' GLN . 20.3 m -156.59 -100.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.357 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.702 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -100.72 -117.25 4.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.054 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 18.0 Cg_endo -74.99 -23.34 13.92 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER 88.4 110.97 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.398 1.061 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.822 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . 1.6 m 135.71 52.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.658 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 144.38 -14.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.316 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.752 ' HB3' HG21 ' A' ' 3' ' ' THR . 5.8 mt-30 -156.16 -41.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 110.222 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.919 ' O ' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -98.46 18.85 15.61 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.151 . . . . 0.0 108.346 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.822 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 1.0 OUTLIER -129.77 0.5 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.336 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.599 ' C ' ' O ' ' A' ' 11' ' ' LYS . 3.2 pp -24.05 -42.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 1.016 ' HD3' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -48.8 176.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.498 ' N ' ' HG2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -75.04 151.71 39.67 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.496 1.787 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 30' ' ' THR . . . -48.07 142.28 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.709 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -164.56 69.83 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.562 HG22 ' H ' ' A' ' 18' ' ' THR . 18.9 m 32.59 -134.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 0.76 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.562 ' H ' HG22 ' A' ' 17' ' ' THR . 1.7 m -140.98 142.63 34.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.396 1.06 . . . . 0.0 110.521 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.658 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 61.6 m 40.43 69.92 0.28 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 108.351 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.551 ' O ' ' CB ' ' A' ' 21' ' ' LYS . 3.4 t-105 -125.74 -75.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 0.0 107.983 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 92.55 128.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.598 ' CG2' ' CE1' ' A' ' 27' ' ' HIS . 37.9 p -90.15 -2.47 58.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 22' ' ' THR . 4.4 t 91.62 -30.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 tt -108.76 -64.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 109.321 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.755 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -73.77 -77.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 110.393 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.755 ' CB ' ' O ' ' A' ' 25' ' ' THR . 73.9 m 123.73 75.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.076 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.709 ' CG ' ' HA3' ' A' ' 16' ' ' GLY . 42.8 m170 -47.04 -73.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.557 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.658 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.4 m-85 30.75 49.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.416 1.072 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.36 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 0.9 OUTLIER 155.65 -175.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.411 1.07 . . . . 0.0 108.33 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -152.33 -40.61 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.557 ' C ' ' CD ' ' A' ' 32' ' ' LYS . . . 142.62 119.34 1.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.672 ' H ' ' C ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 38.66 74.97 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.242 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.6 m 153.47 36.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 1.36 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 7.3 p -150.82 -156.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 108.351 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 1.2 t0 170.36 38.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.91 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -126.71 154.1 75.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.402 1.064 . . . . 0.0 108.374 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.684 ' HB3' ' H1 ' ' A' ' 1' ' ' CYS . 18.3 Cg_endo -74.95 136.34 20.37 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.544 1.813 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.016 HD13 ' HD3' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -124.47 68.95 1.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CD1' ' HD2' ' A' ' 40' ' ' PRO . 69.0 t80 -164.27 147.38 7.63 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.537 ' HD2' ' CD1' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -74.87 101.25 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.442 1.759 . . . . 0.0 111.026 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.087 179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 1.245 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.728 HG22 ' C ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER 154.89 -9.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.452 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.639 ' OG1' ' CA ' ' A' ' 10' ' ' CYS . 46.8 p -61.12 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.505 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.502 ' N ' ' OG1' ' A' ' 3' ' ' THR . . . -94.8 -147.82 23.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.705 ' O ' ' C ' ' A' ' 6' ' ' CYS . 18.1 Cg_endo -75.05 48.84 2.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.501 1.79 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.84 ' SG ' ' O ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER 13.91 104.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 108.242 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.818 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER 154.63 45.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.22 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.633 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 3.3 tpt180 144.98 -9.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -146.22 -68.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 1.245 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -60.77 -41.14 94.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.329 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.785 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -83.96 56.8 3.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.637 1.211 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -6.81 37.72 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.971 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -86.38 166.27 28.94 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.543 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.1 Cg_endo -75.04 129.48 12.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.553 1.817 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 30' ' ' THR . . . -39.85 103.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.513 ' O ' ' OG1' ' A' ' 17' ' ' THR . . . -100.07 -61.93 0.82 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 16' ' ' GLY . 91.4 m -161.86 157.53 24.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.388 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -82.45 111.5 18.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.433 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.875 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 4.5 m 46.97 62.11 2.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.382 1.051 . . . . 0.0 108.285 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.565 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 2.2 t-105 -117.87 -59.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HA ' ' HA ' ' A' ' 26' ' ' SER . 1.2 tptp 76.24 119.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.532 HG22 ' CD2' ' A' ' 27' ' ' HIS . 46.8 p -73.57 -131.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.87 20.92 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.968 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 25' ' ' THR . 0.4 OUTLIER -165.63 -40.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.662 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -92.29 -64.24 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.662 ' CB ' ' O ' ' A' ' 25' ' ' THR . 4.4 m 99.09 76.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.934 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.532 ' CD2' HG22 ' A' ' 22' ' ' THR . 0.0 OUTLIER -84.66 91.19 7.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.616 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.875 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -118.26 50.4 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.771 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -171.71 -152.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 108.299 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.508 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 6.3 t -160.56 -38.12 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.361 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' SER . . . 127.56 117.28 2.05 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.442 1.089 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.734 ' H ' ' CA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 69.99 -59.76 0.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 0.722 . . . . 0.0 109.251 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 3.4 p -90.61 75.62 6.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.442 1.089 . . . . 0.0 110.017 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.818 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 10.0 p 176.98 174.6 0.41 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.426 1.079 . . . . 0.0 108.278 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 51.2 p30 -173.64 34.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.84 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -103.79 153.09 38.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 108.294 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.565 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.0 Cg_endo -75.06 123.53 7.92 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.54 1.81 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.971 HD22 ' HD3' ' A' ' 13' ' ' LYS . 1.3 mp -97.06 51.04 1.1 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.59 1.181 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.618 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.2 OUTLIER 164.24 -54.17 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.034 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.618 ' HD3' ' CB ' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.97 156.78 43.15 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.455 1.766 . . . . 0.0 111.075 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.856 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.765 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -172.46 27.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.396 1.06 . . . . 0.0 110.419 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.619 ' HB ' ' C ' ' A' ' 9' ' ' GLN . 84.4 m -88.01 -95.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -126.72 -119.93 2.32 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.434 1.084 . . . . 0.0 110.978 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.703 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo -75.08 12.03 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.543 1.812 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.159 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 2.8 p 67.48 -56.56 0.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.485 1.116 . . . . 0.0 108.289 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.769 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 3.8 m -50.79 86.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 108.259 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.681 ' HB3' ' O ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER 91.56 -6.82 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.206 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 1.057 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 8.3 mt-30 -152.84 79.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 1.094 ' CB ' ' HA ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER 135.76 -56.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 108.25 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.943 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -70.93 31.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.643 ' H ' ' C ' ' A' ' 10' ' ' CYS . 2.9 pp -49.5 -19.03 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.994 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -75.48 179.39 1.43 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.721 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.3 Cg_endo -74.97 34.33 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.431 1.753 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.935 ' HB1' ' HA ' ' A' ' 30' ' ' THR . . . 35.0 -154.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.59 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . 165.75 -69.34 0.19 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.57 1.169 . . . . 0.0 110.963 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.947 ' O ' HG23 ' A' ' 30' ' ' THR . 2.4 m -123.13 -138.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.354 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.02 1.94 4.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.733 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER 170.57 40.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.405 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -123.34 99.82 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.847 ' O ' ' CB ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -82.7 128.28 34.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.847 ' CB ' ' O ' ' A' ' 21' ' ' LYS . 10.5 t 126.78 -143.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 110.353 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.784 ' O ' ' CB ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER 57.77 18.12 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.971 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.784 ' CB ' ' O ' ' A' ' 23' ' ' SER . 48.2 tp 121.51 -7.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.595 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER 159.79 151.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.369 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.634 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 1.8 m -40.3 103.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.374 1.046 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.59 ' CD2' ' HA3' ' A' ' 16' ' ' GLY . 1.2 m-70 -106.14 38.68 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.729 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.733 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -78.36 32.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.95 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 4.2 t -170.32 175.69 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 108.278 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.947 HG23 ' O ' ' A' ' 17' ' ' THR . 0.6 OUTLIER -126.86 -34.89 2.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.478 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 115.67 109.79 2.7 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.568 1.167 . . . . 0.0 110.946 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.607 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER 84.59 -54.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.29 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.441 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 2.3 m -109.67 83.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.072 . . . . 0.0 110.082 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 31.9 p -166.96 -151.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 1.2 m-20 154.0 69.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 109.281 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -162.25 148.4 10.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 108.241 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.612 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.2 Cg_endo -75.02 138.57 23.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.438 1.757 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.994 HD22 ' HD3' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -116.83 67.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CZ ' ' HA2' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -158.14 131.46 4.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 101.13 1.43 Allowed 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.503 ' HA2' ' CZ ' ' A' ' 39' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 1.031 ' H1 ' ' HB3' ' A' ' 37' ' ' PRO . 2.5 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.643 ' CA ' ' HB2' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -162.77 -6.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.613 ' N ' ' HB2' ' A' ' 10' ' ' CYS . 98.1 m -158.07 -90.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 110.463 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.647 ' O ' ' SG ' ' A' ' 1' ' ' CYS . . . -125.03 -111.01 1.84 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.56 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.7 Cg_endo -74.81 3.06 5.85 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.494 1.786 . . . . 0.0 111.064 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.883 ' CB ' ' SG ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER 68.18 -57.48 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.851 ' SG ' ' N ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -50.18 107.45 0.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 108.27 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.712 ' CG ' ' O ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER 69.6 28.0 4.64 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.092 . . . . 0.0 110.286 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 15.8 mm100 -157.05 -85.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.883 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -93.1 34.17 1.14 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.802 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -141.62 28.87 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.605 1.191 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.456 ' O ' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -45.38 -19.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.817 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -40.03 162.65 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -75.02 33.04 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.47 1.774 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 30' ' ' THR . . . 59.07 111.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.239 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.721 ' HA3' ' CD2' ' A' ' 27' ' ' HIS . . . -102.21 -89.17 2.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.064 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.841 ' HB ' ' HE2' ' A' ' 27' ' ' HIS . 21.0 m -157.46 -110.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.386 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.613 ' N ' HG22 ' A' ' 17' ' ' THR . 1.2 m -144.98 108.44 4.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.926 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 95.2 m 41.24 87.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 108.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.73 ' CB ' ' CE1' ' A' ' 27' ' ' HIS . 1.2 t90 -141.88 -50.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 12.6 tptm 72.08 130.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.483 ' O ' ' O ' ' A' ' 25' ' ' THR . 3.4 t -177.78 -177.03 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.543 ' O ' ' HB3' ' A' ' 24' ' ' LEU . 0.3 OUTLIER 50.87 25.07 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.119 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.543 ' HB3' ' O ' ' A' ' 23' ' ' SER . 2.8 tt 73.5 5.55 4.97 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.635 1.209 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -129.06 130.47 46.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.502 ' CB ' ' HA ' ' A' ' 38' ' ' LEU . 2.3 m -60.62 71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.959 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.841 ' HE2' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -44.41 -23.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.576 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.926 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 2.8 m-85 -21.42 77.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.787 ' N ' ' O ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER 156.43 -167.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.3 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.687 ' CA ' ' HZ3' ' A' ' 11' ' ' LYS . 1.6 t -153.86 -51.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.397 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 32' ' ' LYS . . . 138.34 113.18 1.14 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.691 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 74.2 -53.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.486 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 46.9 p -99.14 74.72 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.04 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.851 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 17.4 p -170.79 -165.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 108.313 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 52.1 t0 168.36 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.602 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 62.6 m -115.79 158.32 42.39 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.477 1.111 . . . . 0.0 108.329 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 1.031 ' HB3' ' H1 ' ' A' ' 1' ' ' CYS . 18.1 Cg_endo -75.06 144.58 30.2 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.877 ' CD1' ' HB2' ' A' ' 6' ' ' CYS . 2.3 mp -135.27 60.15 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CD1' ' O ' ' A' ' 1' ' ' CYS . 0.0 OUTLIER -116.4 145.4 35.07 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 111.068 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 39' ' ' TYR . 18.2 Cg_endo -74.98 133.36 16.54 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.622 ' O ' ' HB ' ' A' ' 2' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.668 ' O ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER 159.13 -29.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.688 HG21 ' HB3' ' A' ' 9' ' ' GLN . 2.6 m -50.55 -131.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.349 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 6' ' ' CYS . . . -101.33 -111.5 3.44 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.919 ' O ' ' N ' ' A' ' 7' ' ' CYS . 18.4 Cg_endo -75.0 21.51 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 19.7 p 51.88 -59.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 108.394 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.291 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 1.4 m -39.97 107.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 108.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.567 ' HG2' ' C ' ' A' ' 7' ' ' CYS . 4.5 mmm180 89.51 -14.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.945 ' O ' ' SG ' ' A' ' 10' ' ' CYS . 3.9 mm-40 -147.15 70.01 1.18 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 0.0 110.242 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.945 ' SG ' ' O ' ' A' ' 9' ' ' GLN . 63.0 m 140.32 -58.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 108.316 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.857 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -50.64 -3.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.708 ' H ' ' C ' ' A' ' 10' ' ' CYS . 1.3 pp -36.44 -25.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 1.012 ' NZ ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -52.52 172.44 0.19 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.687 ' HD2' ' HB2' ' A' ' 13' ' ' LYS . 18.4 Cg_endo -74.98 44.79 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.601 1.843 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 57.53 148.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.559 ' HA3' ' CG ' ' A' ' 27' ' ' HIS . . . -145.48 -83.75 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.495 HG22 ' H ' ' A' ' 18' ' ' THR . 3.1 m -156.88 -145.36 0.15 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.495 ' H ' HG22 ' A' ' 17' ' ' THR . 1.8 t -124.1 5.84 8.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.146 . . . . 0.0 110.364 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.715 ' HA ' ' CG ' ' A' ' 28' ' ' TYR . 0.1 OUTLIER 164.48 60.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.412 1.07 . . . . 0.0 108.274 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.656 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 42.3 t-105 -111.01 -71.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 20' ' ' TRP . 0.0 OUTLIER 74.94 119.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 23' ' ' SER . 63.9 p -78.08 -111.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 110.482 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.434 ' N ' ' OG1' ' A' ' 22' ' ' THR . 1.5 m -147.86 17.0 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.077 . . . . 0.0 110.002 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.12 -71.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.012 HG23 ' NZ ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -61.06 -47.16 87.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.412 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.581 ' O ' ' HB3' ' A' ' 38' ' ' LEU . 0.4 OUTLIER 71.56 88.87 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.037 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.899 ' O ' HD22 ' A' ' 38' ' ' LEU . 19.4 m-70 -58.38 -104.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.657 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.715 ' CG ' ' HA ' ' A' ' 19' ' ' CYS . 0.8 OUTLIER 65.41 33.73 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.997 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.181 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 11.5 t 174.92 169.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 108.274 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.551 ' O ' ' CD ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -129.28 -76.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.672 ' HA2' ' HG2' ' A' ' 11' ' ' LYS . . . 178.5 110.72 0.28 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.764 ' O ' ' CB ' ' A' ' 33' ' ' SER . 0.0 OUTLIER 66.81 95.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.474 0.75 . . . . 0.0 109.326 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.764 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 58.0 m 123.23 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.059 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 1.291 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 27.6 p 28.57 -141.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 108.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 34' ' ' CYS . 2.2 m-20 149.0 58.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.62 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -167.27 148.48 5.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 108.269 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.605 ' C ' HD23 ' A' ' 38' ' ' LEU . 18.3 Cg_endo -75.04 140.44 25.34 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.57 1.826 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.944 HD21 ' HB2' ' A' ' 29' ' ' CYS . 0.3 OUTLIER -104.21 45.81 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -163.56 150.08 10.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.08 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.88 60.68 5.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.414 1.744 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.507 1.13 . . . . 0.0 111.058 -179.982 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.853 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -172.61 64.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.566 ' HB ' ' O ' ' A' ' 9' ' ' GLN . 8.1 m -133.68 -95.38 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.425 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.477 ' N ' HG22 ' A' ' 3' ' ' THR . . . -130.66 -115.58 1.75 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.743 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.3 Cg_endo -75.04 7.64 2.79 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.062 ' HA ' ' CB ' ' A' ' 10' ' ' CYS . 13.8 p 62.4 -54.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.416 1.072 . . . . 0.0 108.36 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.793 ' SG ' ' N ' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -49.6 82.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 108.28 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.711 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 2.8 mmm180 99.7 -13.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 1.013 ' O ' ' HB2' ' A' ' 10' ' ' CYS . 3.9 mt-30 -146.35 75.57 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 1' ' ' CYS . 2.7 t 138.3 -55.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.239 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.876 ' HA ' HD13 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -69.54 37.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.612 ' H ' ' C ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -48.38 -14.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.831 ' HD3' HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -59.23 158.84 17.28 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.896 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.4 Cg_endo -75.04 48.91 2.13 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 14' ' ' PRO . . . 71.56 119.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' CA ' ' CG ' ' A' ' 27' ' ' HIS . . . -114.84 -100.72 2.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.393 1.058 . . . . 0.0 111.049 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 29' ' ' CYS . 75.6 m -145.5 -119.51 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.418 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 19' ' ' CYS . 4.3 m -161.24 116.94 2.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.391 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 39.7 m 37.79 58.87 1.36 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 108.344 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.598 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 3.6 t-105 -128.16 -71.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 107.94 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HG2' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 89.2 122.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.542 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 73.1 p -77.38 179.68 6.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.578 1.173 . . . . 0.0 110.41 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.98 ' C ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -88.91 12.65 14.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.98 HD13 ' C ' ' A' ' 23' ' ' SER . 0.0 OUTLIER -130.48 -76.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.753 HG22 ' N ' ' A' ' 26' ' ' SER . 1.6 m -93.03 -100.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.454 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.753 ' N ' HG22 ' A' ' 25' ' ' THR . 0.2 OUTLIER 176.43 115.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CG ' ' CG2' ' A' ' 22' ' ' THR . 36.9 m170 -100.92 30.8 3.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 109.615 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -68.78 44.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.018 ' HB3' HD21 ' A' ' 38' ' ' LEU . 16.2 t 173.88 167.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.168 . . . . 0.0 108.258 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.563 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -122.07 -43.55 2.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.718 ' HA2' ' HZ2' ' A' ' 11' ' ' LYS . . . 128.42 107.6 1.36 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.793 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 18.2 tptp 79.19 107.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 0.805 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 32' ' ' LYS . 1.7 t 87.17 52.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.934 ' SG ' ' SG ' ' A' ' 29' ' ' CYS . 28.2 m -134.7 -168.82 2.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.511 ' HA ' ' HA ' ' A' ' 5' ' ' PRO . 40.4 t0 173.09 40.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.459 ' SG ' ' CD2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -131.56 141.3 41.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 108.324 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 39' ' ' TYR . 18.3 Cg_endo -75.05 137.14 21.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.018 HD21 ' HB3' ' A' ' 29' ' ' CYS . 2.1 mp -107.7 56.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.556 ' CD1' ' C ' ' A' ' 39' ' ' TYR . 1.6 p90 -139.46 140.65 26.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 39' ' ' TYR . 18.8 Cg_endo -74.96 134.14 17.51 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.468 1.773 . . . . 0.0 111.072 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.498 1.124 . . . . 0.0 110.952 -179.951 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.773 ' N ' ' HB2' ' A' ' 39' ' ' TYR 0.853 0.0 OUTLIER . . . . . 3 CA--C 0.845 -26.162 1 CA-C-O 107.095 -6.193 . . . . 2.6 107.895 . . . . . . . . . 5 3 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.452 ' C ' ' SG ' ' A' ' 1' ' ' CYS 0.82 0.5 OUTLIER -173.66 1.19 0.01 OUTLIER 'General case' 3 N--CA 0.821 -31.921 2 O-C-N 140.009 10.818 . . . . 3.11 126.232 -179.942 . . . . . . . . 6 4 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.765 ' N ' ' SG ' ' A' ' 1' ' ' CYS . 90.4 m -104.67 -94.81 0.34 Allowed 'General case' 1 C--N 1.014 -13.992 3 O-C-N 103.89 -11.756 . . . . 1.08 110.488 -179.997 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' HA3' ' HD3' ' A' ' 5' ' ' PRO . . . -122.44 -116.1 2.33 Favored Glycine 0 C--N 1.286 -2.247 0 N-CA-C 111.86 -0.496 . . . . 0.76 111.86 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo -73.95 8.47 2.02 Favored 'Trans proline' 0 C--O 1.155 -3.633 0 O-C-N 124.887 1.993 . . . . 0.71 111.406 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.101 ' HA ' ' HB3' ' A' ' 10' ' ' CYS . 3.9 p 57.92 -60.2 0.03 OUTLIER 'General case' 1 C--O 0.684 -28.7 0 CA-C-O 128.136 3.827 . . . . 1.58 107.501 -179.91 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.914 ' SG ' ' CB ' ' A' ' 34' ' ' CYS . 0.8 OUTLIER -45.44 80.43 0.0 OUTLIER 'General case' 2 C--N 0.972 -15.812 3 O-C-N 90.762 -19.961 . . . . 0.94 108.38 179.921 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.746 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 27.7 tpt180 111.38 -11.11 0.01 OUTLIER 'General case' 0 C--N 1.261 -3.275 0 O-C-N 120.947 -1.095 . . . . 3.3 110.755 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.478 ' HB3' HG21 ' A' ' 3' ' ' THR . 2.6 mt-30 -138.98 -63.32 0.53 Allowed 'General case' 1 C--O 0.64 -31.006 1 CA-C-O 130.597 4.999 . . . . 2.31 111.931 -179.956 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 1.101 ' HB3' ' HA ' ' A' ' 6' ' ' CYS . 21.3 t -88.37 -13.73 39.88 Favored 'General case' 2 C--N 0.917 -18.233 3 O-C-N 86.289 -22.757 . . . . 1.39 111.133 -179.992 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 1.442 ' NZ ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -101.22 33.6 2.83 Favored 'General case' 1 C--N 1.231 -4.575 0 O-C-N 119.44 -2.037 . . . . 2.21 109.456 179.976 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 pp -53.49 -17.75 2.25 Favored 'General case' 0 C--N 1.26 -3.321 0 N-CA-C 109.408 -0.59 . . . . 1.02 109.408 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 1.079 ' HE2' ' H ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -58.65 167.21 1.92 Allowed Pre-proline 0 C--N 1.292 -1.907 0 CA-C-N 115.812 -0.631 . . . . 2.1 109.839 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.702 ' O ' ' O ' ' A' ' 15' ' ' ALA . 18.5 Cg_endo -75.21 55.79 4.17 Favored 'Trans proline' 1 C--O 0.919 -15.445 0 CA-C-O 126.609 2.67 . . . . 1.39 111.895 179.947 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.702 ' O ' ' O ' ' A' ' 14' ' ' PRO . . . 45.92 131.52 0.0 OUTLIER 'General case' 2 C--N 1.043 -12.72 2 O-C-N 106.777 -9.952 . . . . 0.94 110.225 179.998 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.618 ' HA3' ' HB3' ' A' ' 27' ' ' HIS . . . -134.77 -93.65 0.46 Allowed Glycine 2 C--O 0.734 -31.134 0 CA-C-O 123.841 1.8 . . . . 1.5 112.165 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.781 HG22 ' H ' ' A' ' 18' ' ' THR . 35.6 m -147.48 -171.38 3.78 Favored 'General case' 2 C--N 1.023 -13.617 3 O-C-N 98.627 -14.455 . . . . 1.05 111.108 179.943 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.781 ' H ' HG22 ' A' ' 17' ' ' THR . 0.7 OUTLIER -102.05 109.35 21.04 Favored 'General case' 2 C--O 0.849 -19.976 0 CA-C-O 128.352 3.929 . . . . 1.37 111.005 -179.942 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.881 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 96.6 m 53.67 65.46 1.51 Allowed 'General case' 1 C--N 0.994 -14.854 3 O-C-N 100.752 -13.718 . . . . 0.78 108.252 179.96 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.506 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 2.8 t-105 -122.69 -62.12 1.39 Allowed 'General case' 1 C--O 1.006 -11.736 0 CA-C-O 118.052 -0.975 . . . . 3.18 109.354 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 1.495 ' NZ ' ' CD ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER 73.88 127.09 0.04 OUTLIER 'General case' 1 C--N 1.213 -5.34 0 CA-C-N 123.93 3.059 . . . . 3.03 113.478 179.965 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.596 HG21 ' CE1' ' A' ' 27' ' ' HIS 0.448 13.0 p -93.15 -133.18 0.15 Allowed 'General case' 2 C--O 0.503 -38.215 0 N-CA-C 120.17 3.396 . . . . 1.68 120.17 -179.978 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . 0.398 0.5 OUTLIER -128.04 1.42 5.9 Favored 'General case' 4 C--N 0.826 -22.17 4 O-C-N 90.638 -20.039 . . . . 2.72 116.178 -179.907 . . . . . . . . 5 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.699 ' C ' ' HG ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -143.28 -51.42 0.35 Allowed 'General case' 3 C--N 0.955 -16.556 1 O-C-N 110.983 -7.323 . . . . 2.91 112.885 -179.915 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 1.224 ' O ' ' CA ' ' A' ' 26' ' ' SER . 1.2 m -103.95 -42.08 5.68 Favored 'General case' 2 C--O 0.52 -37.34 2 CA-C-O 145.357 12.027 . . . . 2.01 111.893 179.997 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 1.224 ' CA ' ' O ' ' A' ' 25' ' ' THR . 3.3 m 94.49 91.61 0.01 OUTLIER 'General case' 1 C--N 0.818 -22.523 3 O-C-N 58.904 -39.873 . . . . 1.37 109.944 -179.934 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.618 ' HB3' ' HA3' ' A' ' 16' ' ' GLY . 0.6 OUTLIER -76.47 -16.53 59.65 Favored 'General case' 2 C--O 0.534 -36.563 1 CA-C-O 136.705 7.907 . . . . 1.96 109.846 -179.969 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 1.432 ' CZ ' ' CD2' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -18.94 43.4 0.0 OUTLIER 'General case' 2 C--N 0.89 -19.407 3 O-C-N 70.976 -32.327 . . . . 1.42 111.023 -179.931 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.013 ' HB2' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER 176.68 -169.41 0.06 Allowed 'General case' 1 C--O 1.149 -4.207 0 C-N-CA 123.542 0.737 . . . . 1.03 109.057 179.993 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 1.174 ' CG2' ' CA ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -146.79 -42.57 0.19 Allowed 'General case' 1 C--O 1.142 -4.56 0 CA-C-O 122.073 0.939 . . . . 1.46 110.805 179.949 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.724 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . 133.07 113.29 1.42 Allowed Glycine 1 C--N 1.239 -4.821 0 O-C-N 120.276 -1.515 . . . . 0.66 111.048 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 1.468 ' CB ' ' CE ' ' A' ' 32' ' ' LYS . 4.5 tmtt? 74.93 36.11 0.57 Allowed 'General case' 2 C--O 0.378 -44.769 1 CA-C-O 154.876 16.56 . . . . 3.83 111.975 179.93 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 1.213 ' CA ' ' O ' ' A' ' 32' ' ' LYS . 0.1 OUTLIER 165.68 49.89 0.0 OUTLIER 'General case' 3 C--N 0.811 -22.823 3 O-C-N 38.205 -52.809 . . . . 1.65 112.933 179.968 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 1.19 ' SG ' ' CA ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -137.03 -164.9 1.66 Allowed 'General case' 2 C--N 1.078 -11.238 1 O-C-N 109.574 -8.204 . . . . 1.19 108.228 179.976 . . . . . . . . 5 4 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.568 ' HB2' ' O ' ' A' ' 34' ' ' CYS . 11.2 t0 173.16 44.65 0.0 OUTLIER 'General case' 0 C--O 1.156 -3.866 0 CA-C-O 122.878 1.323 . . . . 2.34 109.883 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 28' ' ' TYR . 1.1 m -131.39 148.19 69.14 Favored Pre-proline 1 C--N 1.229 -4.634 0 O-C-N 120.387 -1.446 . . . . 0.66 108.429 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 28' ' ' TYR . 18.1 Cg_endo -75.03 138.47 23.01 Favored 'Trans proline' 0 C--O 1.184 -2.193 0 C-N-CA 121.489 1.459 . . . . 0.75 111.847 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.013 HD21 ' HB2' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -115.82 60.17 0.72 Allowed 'General case' 0 C--O 1.189 -2.086 0 N-CA-C 108.814 -0.81 . . . . 1.0 108.814 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 1.244 ' CD1' ' HD2' ' A' ' 40' ' ' PRO 0.262 30.5 t80 -161.79 146.82 10.19 Favored Pre-proline 2 C--O 0.963 -14.021 0 N-CA-C 115.269 1.581 . . . . 4.27 115.269 -179.996 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 1.244 ' HD2' ' CD1' ' A' ' 39' ' ' TYR 0.435 18.9 Cg_endo -81.92 114.05 2.54 Favored 'Trans proline' 4 C--O 0.464 -38.18 1 CA-C-O 131.301 4.625 . . . . 2.59 121.217 -179.987 . . . . . . . . 5 3 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 1.294 ' C ' ' N ' ' A' ' 41' ' ' GLY . . . . . . . . 4 C--O 0.296 -58.517 5 O-C-N 79.263 -27.148 . . . . 3.84 154.37 179.932 . . . . . . . . 3 2 . 1 stop_ save_