data_2mi1_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 2mi1 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 pttt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.292 -0.633 . . . . 70.21 109.292 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 29.8 p-10 -44.87 153.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.2 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 1.4 t80 73.44 174.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 71.41 110.975 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 45.22 39.31 4.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 63.34 110.998 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.577 ' CE3' ' CB ' ' A' ' 9' ' ' LYS . 69.6 t90 -156.0 -77.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 63.34 107.967 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.577 ' CB ' ' CE3' ' A' ' 8' ' ' TRP . 72.0 tttt -144.73 40.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 73.14 109.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p 49.25 22.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 75.41 110.351 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.2 OUTLIER -134.48 -171.75 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 72.44 110.979 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -40.04 -27.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 54.44 110.33 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.572 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 3.6 m . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.162 . . . . 73.13 109.994 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.256 -0.646 . . . . 70.21 109.256 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 32.1 p30 -41.24 161.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 74.2 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 1.8 t80 73.37 177.85 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 71.41 111.034 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' PHE . 10.9 m-85 36.84 39.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 63.34 110.988 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.622 ' HB3' ' HG ' ' A' ' 13' ' ' SER . 63.6 t90 -153.08 -77.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 63.34 107.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.556 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -147.84 40.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 73.14 109.303 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.6 m 47.93 23.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 75.41 110.36 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' C ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -134.2 -167.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 72.44 111.037 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 t -41.63 -26.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 54.44 110.403 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.622 ' HG ' ' HB3' ' A' ' 8' ' ' TRP . 23.5 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.13 110.023 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ASN . 1.5 pttm . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.365 -0.606 . . . . 70.21 109.365 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' LYS . 3.3 p30 -39.76 156.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 74.2 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 64.78 45.47 3.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 71.41 110.994 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -156.43 43.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 63.34 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.482 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 36.1 t90 -176.4 -76.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 63.34 108.005 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' C ' ' HG1' ' A' ' 10' ' ' THR . 0.4 OUTLIER -145.5 45.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 73.14 109.227 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.491 ' HG1' ' C ' ' A' ' 9' ' ' LYS . 2.5 m 81.18 -49.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 75.41 110.442 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' THR . 2.0 t80 -51.91 -172.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 72.44 111.037 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' OG ' ' A' ' 13' ' ' SER . 2.5 p -52.52 -19.4 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 54.44 110.44 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 73.13 110.012 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' ASN . 3.8 ttmm . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.272 -0.64 . . . . 70.21 109.272 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' LYS . 15.4 p30 -39.83 157.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.2 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 63.25 46.0 4.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 71.41 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -156.8 43.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 63.34 111.045 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.541 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 35.5 t90 -176.4 -76.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 63.34 107.993 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.541 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -145.48 45.77 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.44 1.088 . . . . 73.14 109.308 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.499 ' HG1' ' C ' ' A' ' 9' ' ' LYS . 2.5 m 81.24 -49.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 75.41 110.385 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' A' ' 10' ' ' THR . 1.2 t80 -51.94 -172.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 72.44 110.969 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.401 ' O ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.56 -19.39 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 54.44 110.372 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.479 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 73.13 110.029 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.284 -0.636 . . . . 70.21 109.284 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.654 HD21 ' N ' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -44.5 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.2 109.319 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 57.18 44.14 22.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 71.41 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.478 ' H ' ' HG ' ' A' ' 13' ' ' SER . 1.0 OUTLIER -155.44 43.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 63.34 111.024 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.494 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 25.4 t90 -176.48 -76.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 63.34 108.043 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' C ' ' HG1' ' A' ' 10' ' ' THR . 4.9 ttmt -147.21 46.41 1.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.436 1.085 . . . . 73.14 109.279 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.489 ' HG1' ' C ' ' A' ' 9' ' ' LYS . 2.5 m 80.67 -50.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 75.41 110.394 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -51.41 -174.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 72.44 110.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -50.39 -20.83 1.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 54.44 110.302 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.3 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 73.13 109.993 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' O ' ' OG ' ' A' ' 13' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.312 -0.625 . . . . 70.21 109.312 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.536 ' HA ' ' HG ' ' A' ' 13' ' ' SER . 47.2 p-10 -58.01 158.29 6.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 74.2 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER 69.99 42.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 71.41 110.983 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -154.64 43.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 63.34 110.958 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.495 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 5.5 t90 -174.95 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 63.34 107.954 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' C ' ' HG1' ' A' ' 10' ' ' THR . 8.2 tttp -152.46 50.58 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 73.14 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.461 ' HG1' ' C ' ' A' ' 9' ' ' LYS . 2.7 m 79.65 -51.8 0.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 75.41 110.431 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 10' ' ' THR . 2.0 t80 -50.16 -177.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 72.44 110.975 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.664 ' C ' ' HG ' ' A' ' 13' ' ' SER . 1.0 OUTLIER -47.22 -22.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 54.44 110.415 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.664 ' HG ' ' C ' ' A' ' 12' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 73.13 109.999 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.251 -0.648 . . . . 70.21 109.251 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -39.8 158.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 74.2 109.277 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.79 42.78 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 71.41 110.964 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -156.69 41.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 63.34 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.485 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 30.4 t90 -171.65 -75.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 63.34 108.062 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 10' ' ' THR . 15.7 tttm -145.83 42.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 73.14 109.341 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER 82.19 -48.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 75.41 110.486 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' THR . 1.6 t80 -52.73 -171.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 72.44 111.042 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -53.74 -18.44 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 54.44 110.414 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 73.13 110.03 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.41 ' O ' ' OG ' ' A' ' 13' ' ' SER . 5.5 tptm . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.216 -0.661 . . . . 70.21 109.216 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' LYS . 10.9 p30 -39.68 157.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 74.2 109.275 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 t80 64.44 43.95 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 71.41 110.939 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -155.01 43.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 63.34 111.013 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.505 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 36.3 t90 -176.26 -76.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.559 1.162 . . . . 63.34 108.006 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.505 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -145.38 45.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.14 109.31 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER 81.41 -49.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 75.41 110.347 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.418 ' N ' ' CG2' ' A' ' 10' ' ' THR . 1.5 t80 -51.95 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 72.44 110.999 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -52.49 -19.44 2.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 54.44 110.421 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.5 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 73.13 110.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 pttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.281 -0.637 . . . . 70.21 109.281 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 6.0 p-10 -41.74 154.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.2 109.256 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.463 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 2.3 t80 73.69 155.98 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 71.41 110.96 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.6 t80 59.56 41.68 18.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 63.34 111.029 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.63 ' CE3' ' CB ' ' A' ' 9' ' ' LYS . 83.4 t90 -161.42 -80.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 63.34 108.02 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.63 ' CB ' ' CE3' ' A' ' 8' ' ' TRP . 4.6 tttm -151.27 33.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 73.14 109.355 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER 75.93 -54.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 75.41 110.451 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.482 ' N ' ' CG2' ' A' ' 10' ' ' THR . 0.6 OUTLIER -51.47 -174.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 72.44 111.086 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ASN . 30.6 p -48.21 -22.12 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 54.44 110.389 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.578 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 5.2 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 73.13 110.028 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' O ' ' OG ' ' A' ' 13' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.3 -0.63 . . . . 70.21 109.3 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -70.69 164.48 24.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 74.2 109.28 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 66.87 44.1 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 71.41 111.006 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.401 ' C ' ' CB ' ' A' ' 13' ' ' SER . 12.4 m-85 -154.76 43.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 63.34 110.986 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.498 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 5.3 t90 -175.83 -75.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 63.34 107.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -152.55 51.12 0.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.461 1.101 . . . . 73.14 109.375 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER 79.27 -51.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 75.41 110.392 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 10' ' ' THR . 1.9 t80 -50.06 -177.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 72.44 110.96 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' OG ' ' A' ' 13' ' ' SER . 2.7 t -47.08 -22.99 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 54.44 110.485 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 73.13 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.291 -0.633 . . . . 72.13 109.291 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.42 147.49 18.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 33.44 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.8 m 63.3 108.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.31 -0.996 . . . . 72.24 108.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -129.48 101.2 5.84 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.547 1.155 . . . . 70.21 109.292 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 29.8 p-10 -44.87 153.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.2 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 1.4 t80 73.44 174.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 71.41 110.975 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 45.22 39.31 4.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 63.34 110.998 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.577 ' CE3' ' CB ' ' A' ' 9' ' ' LYS . 69.6 t90 -156.0 -77.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 63.34 107.967 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.577 ' CB ' ' CE3' ' A' ' 8' ' ' TRP . 72.0 tttt -144.73 40.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 73.14 109.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p 49.25 22.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 75.41 110.351 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.2 OUTLIER -134.48 -171.75 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 72.44 110.979 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -40.04 -27.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 54.44 110.33 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.572 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 3.6 m 70.57 -150.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.162 . . . . 73.13 109.994 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 13' ' ' SER . 2.0 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 51.53 108.25 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.315 -0.624 . . . . 72.13 109.315 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.27 -122.08 1.02 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 33.44 110.991 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 13' ' ' SER . 11.9 t -131.05 116.09 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.338 -0.986 . . . . 72.24 108.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -144.78 114.48 7.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.149 . . . . 70.21 109.256 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 32.1 p30 -41.24 161.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 74.2 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 1.8 t80 73.37 177.85 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 71.41 111.034 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' PHE . 10.9 m-85 36.84 39.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 63.34 110.988 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.622 ' HB3' ' HG ' ' A' ' 13' ' ' SER . 63.6 t90 -153.08 -77.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 63.34 107.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.556 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -147.84 40.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 73.14 109.303 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.6 m 47.93 23.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 75.41 110.36 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' C ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -134.2 -167.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 72.44 111.037 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 t -41.63 -26.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 54.44 110.403 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.622 ' HG ' ' HB3' ' A' ' 8' ' ' TRP . 23.5 m 62.69 -174.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.13 110.023 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 13' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 51.53 108.33 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.25 -0.648 . . . . 72.13 109.25 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.39 -141.02 15.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 33.44 110.974 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -140.39 176.21 8.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.293 -1.003 . . . . 72.24 108.293 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ASN . 1.5 pttm -133.15 75.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 70.21 109.365 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' LYS . 3.3 p30 -39.76 156.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 74.2 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 64.78 45.47 3.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 71.41 110.994 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -156.43 43.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 63.34 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.482 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 36.1 t90 -176.4 -76.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 63.34 108.005 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' C ' ' HG1' ' A' ' 10' ' ' THR . 0.4 OUTLIER -145.5 45.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 73.14 109.227 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.491 ' HG1' ' C ' ' A' ' 9' ' ' LYS . 2.5 m 81.18 -49.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 75.41 110.442 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' THR . 2.0 t80 -51.91 -172.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 72.44 111.037 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' OG ' ' A' ' 13' ' ' SER . 2.5 p -52.52 -19.4 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 54.44 110.44 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p 55.22 24.88 6.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 73.13 110.012 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 51.53 108.303 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.349 -0.612 . . . . 72.13 109.349 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.8 147.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 33.44 110.991 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.41 ' CB ' ' OG1' ' A' ' 12' ' ' THR . 2.7 m -152.01 170.02 20.93 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.201 -1.037 . . . . 72.24 108.201 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' ASN . 3.8 ttmm -142.66 81.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 70.21 109.272 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' LYS . 15.4 p30 -39.83 157.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.2 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 63.25 46.0 4.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 71.41 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -156.8 43.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 63.34 111.045 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.541 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 35.5 t90 -176.4 -76.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 63.34 107.993 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.541 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -145.48 45.77 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.44 1.088 . . . . 73.14 109.308 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.499 ' HG1' ' C ' ' A' ' 9' ' ' LYS . 2.5 m 81.24 -49.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 75.41 110.385 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' A' ' 10' ' ' THR . 1.2 t80 -51.94 -172.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 72.44 110.969 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.41 ' OG1' ' CB ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -52.56 -19.39 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 54.44 110.372 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.479 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p 55.22 24.92 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 73.13 110.029 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 51.53 108.251 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.339 -0.615 . . . . 72.13 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.82 159.16 4.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 33.44 111.018 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.86 ' HG ' ' CG2' ' A' ' 12' ' ' THR . 0.4 OUTLIER -82.72 134.05 35.14 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.255 -1.017 . . . . 72.24 108.255 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -164.1 94.21 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 70.21 109.284 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.654 HD21 ' N ' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -44.5 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.2 109.319 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 57.18 44.14 22.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 71.41 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.478 ' H ' ' HG ' ' A' ' 13' ' ' SER . 1.0 OUTLIER -155.44 43.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 63.34 111.024 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.494 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 25.4 t90 -176.48 -76.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 63.34 108.043 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' C ' ' HG1' ' A' ' 10' ' ' THR . 4.9 ttmt -147.21 46.41 1.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.436 1.085 . . . . 73.14 109.279 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.489 ' HG1' ' C ' ' A' ' 9' ' ' LYS . 2.5 m 80.67 -50.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 75.41 110.394 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -51.41 -174.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 72.44 110.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.86 ' CG2' ' HG ' ' A' ' 3' ' ' CYS . 2.5 m -50.39 -20.83 1.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 54.44 110.302 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.3 p 55.37 24.72 6.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 73.13 109.993 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 51.53 108.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.282 -0.636 . . . . 72.13 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.58 -143.68 17.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 33.44 110.968 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.8 m 64.8 171.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.331 -0.988 . . . . 72.24 108.331 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' O ' ' OG ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -173.01 136.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 70.21 109.312 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.536 ' HA ' ' HG ' ' A' ' 13' ' ' SER . 47.2 p-10 -58.01 158.29 6.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 74.2 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER 69.99 42.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 71.41 110.983 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -154.64 43.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 63.34 110.958 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.495 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 5.5 t90 -174.95 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 63.34 107.954 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' C ' ' HG1' ' A' ' 10' ' ' THR . 8.2 tttp -152.46 50.58 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 73.14 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.461 ' HG1' ' C ' ' A' ' 9' ' ' LYS . 2.7 m 79.65 -51.8 0.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 75.41 110.431 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 10' ' ' THR . 2.0 t80 -50.16 -177.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 72.44 110.975 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.664 ' C ' ' HG ' ' A' ' 13' ' ' SER . 1.0 OUTLIER -47.22 -22.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 54.44 110.415 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.664 ' HG ' ' C ' ' A' ' 12' ' ' THR . 0.1 OUTLIER 57.99 -172.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 73.13 109.999 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 51.53 108.259 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.365 -0.606 . . . . 72.13 109.365 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.16 -126.53 5.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 33.44 111.033 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 1.9 t 77.45 141.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.298 -1.001 . . . . 72.24 108.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER 179.76 115.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 70.21 109.251 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -39.8 158.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 74.2 109.277 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.79 42.78 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 71.41 110.964 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -156.69 41.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 63.34 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.485 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 30.4 t90 -171.65 -75.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 63.34 108.062 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 10' ' ' THR . 15.7 tttm -145.83 42.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 73.14 109.341 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER 82.19 -48.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 75.41 110.486 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' THR . 1.6 t80 -52.73 -171.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 72.44 111.042 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -53.74 -18.44 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 54.44 110.414 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p 55.11 -174.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 73.13 110.03 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 51.53 108.261 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.305 -0.628 . . . . 72.13 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.73 -157.83 1.8 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 33.44 110.973 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 109.85 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.307 -0.997 . . . . 72.24 108.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.41 ' O ' ' OG ' ' A' ' 13' ' ' SER . 5.5 tptm -143.83 82.94 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 70.21 109.216 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' LYS . 10.9 p30 -39.68 157.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 74.2 109.275 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 t80 64.44 43.95 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 71.41 110.939 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -155.01 43.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 63.34 111.013 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.505 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 36.3 t90 -176.26 -76.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.559 1.162 . . . . 63.34 108.006 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -145.38 45.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.14 109.31 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER 81.41 -49.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 75.41 110.347 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.418 ' N ' ' CG2' ' A' ' 10' ' ' THR . 1.5 t80 -51.95 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 72.44 110.999 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.555 HG21 ' HB2' ' A' ' 14' ' ' CYS . 1.6 t -52.49 -19.44 2.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 54.44 110.421 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.5 p 55.13 24.82 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 73.13 110.023 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.555 ' HB2' HG21 ' A' ' 12' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 51.53 108.256 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.371 -0.603 . . . . 72.13 109.371 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.0 119.91 17.89 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.525 1.141 . . . . 33.44 110.972 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 19.8 m 64.55 155.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.246 -1.02 . . . . 72.24 108.246 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -159.58 111.31 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 70.21 109.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 6.0 p-10 -41.74 154.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.2 109.256 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.463 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 2.3 t80 73.69 155.98 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 71.41 110.96 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.6 t80 59.56 41.68 18.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 63.34 111.029 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.63 ' CE3' ' CB ' ' A' ' 9' ' ' LYS . 83.4 t90 -161.42 -80.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 63.34 108.02 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.63 ' CB ' ' CE3' ' A' ' 8' ' ' TRP . 4.6 tttm -151.27 33.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 73.14 109.355 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.482 ' CG2' ' N ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER 75.93 -54.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 75.41 110.451 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.482 ' N ' ' CG2' ' A' ' 10' ' ' THR . 0.6 OUTLIER -51.47 -174.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 72.44 111.086 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ASN . 30.6 p -48.21 -22.12 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 54.44 110.389 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.578 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 5.2 m 75.9 -158.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 73.13 110.028 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 13' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 51.53 108.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.372 -0.603 . . . . 72.13 109.372 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.63 -109.19 0.3 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.505 1.128 . . . . 33.44 110.991 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' SG ' ' OG1' ' A' ' 12' ' ' THR . 8.1 t 61.07 156.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.289 -1.004 . . . . 72.24 108.289 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' O ' ' OG ' ' A' ' 13' ' ' SER . 0.3 OUTLIER -174.38 127.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 70.21 109.3 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -70.69 164.48 24.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 74.2 109.28 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 66.87 44.1 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 71.41 111.006 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.401 ' C ' ' CB ' ' A' ' 13' ' ' SER . 12.4 m-85 -154.76 43.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 63.34 110.986 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.498 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 5.3 t90 -175.83 -75.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 63.34 107.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -152.55 51.12 0.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.461 1.101 . . . . 73.14 109.375 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER 79.27 -51.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 75.41 110.392 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 10' ' ' THR . 1.9 t80 -50.06 -177.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 72.44 110.96 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 14' ' ' CYS . 2.7 t -47.08 -22.99 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 54.44 110.485 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.498 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER 57.77 25.24 11.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 73.13 110.007 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.517 ' HB2' HG22 ' A' ' 12' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 51.53 108.253 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 pttt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.292 -0.633 . . . . 70.21 109.292 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 29.8 p-10 -44.87 153.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.2 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 1.4 t80 73.44 174.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 71.41 110.975 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 45.22 39.31 4.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 63.34 110.998 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.577 ' CE3' ' CB ' ' A' ' 9' ' ' LYS . 69.6 t90 -156.0 -77.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 63.34 107.967 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.577 ' CB ' ' CE3' ' A' ' 8' ' ' TRP . 72.0 tttt -144.73 40.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 73.14 109.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p 49.25 22.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 75.41 110.351 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.2 OUTLIER -134.48 -171.75 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 72.44 110.979 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -40.04 -27.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 54.44 110.33 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.568 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 3.6 m . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.162 . . . . 73.13 109.994 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.256 -0.646 . . . . 70.21 109.256 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 32.1 p30 -41.24 161.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 74.2 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 1.8 t80 73.37 177.85 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 71.41 111.034 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' PHE . 10.9 m-85 36.84 39.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 63.34 110.988 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 63.6 t90 -153.08 -77.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 63.34 107.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.572 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -147.84 40.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 73.14 109.303 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.6 m 47.93 23.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 75.41 110.36 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' C ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -134.2 -167.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 72.44 111.037 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 t -41.63 -26.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 54.44 110.403 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.572 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 23.5 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.13 110.023 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ASN . 1.5 pttm . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.365 -0.606 . . . . 70.21 109.365 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' LYS . 3.3 p30 -39.76 156.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 74.2 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 64.78 45.47 3.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 71.41 110.994 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -156.43 43.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 63.34 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.501 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 36.1 t90 -176.4 -76.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 63.34 108.005 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -145.5 45.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 73.14 109.227 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.5 m 81.18 -49.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 75.41 110.442 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' THR . 2.0 t80 -51.91 -172.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 72.44 111.037 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' OG ' ' A' ' 13' ' ' SER . 2.5 p -52.52 -19.4 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 54.44 110.44 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 73.13 110.012 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' ASN . 3.8 ttmm . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.272 -0.64 . . . . 70.21 109.272 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' LYS . 15.4 p30 -39.83 157.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.2 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 63.25 46.0 4.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 71.41 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -156.8 43.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 63.34 111.045 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 35.5 t90 -176.4 -76.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 63.34 107.993 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -145.48 45.77 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.44 1.088 . . . . 73.14 109.308 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.5 m 81.24 -49.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 75.41 110.385 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CD2' HG22 ' A' ' 12' ' ' THR . 1.2 t80 -51.94 -172.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 72.44 110.969 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.566 HG22 ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -52.56 -19.39 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 54.44 110.372 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.5 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 73.13 110.029 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.284 -0.636 . . . . 70.21 109.284 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 4' ' ' LYS . 21.5 p-10 -44.5 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.2 109.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 57.18 44.14 22.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 71.41 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -155.44 43.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 63.34 111.024 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.502 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 25.4 t90 -176.48 -76.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 63.34 108.043 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 10' ' ' THR . 4.9 ttmt -147.21 46.41 1.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.436 1.085 . . . . 73.14 109.279 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.5 m 80.67 -50.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 75.41 110.394 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -51.41 -174.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 72.44 110.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -50.39 -20.83 1.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 54.44 110.302 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.502 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.3 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 73.13 109.993 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.312 -0.625 . . . . 70.21 109.312 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 47.2 p-10 -58.01 158.29 6.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 74.2 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER 69.99 42.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 71.41 110.983 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -154.64 43.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 63.34 110.958 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 5.5 t90 -174.95 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 63.34 107.954 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 10' ' ' THR . 8.2 tttp -152.46 50.58 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 73.14 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.7 m 79.65 -51.8 0.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 75.41 110.431 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.696 ' CD2' HG22 ' A' ' 12' ' ' THR . 2.0 t80 -50.16 -177.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 72.44 110.975 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.696 HG22 ' CD2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -47.22 -22.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 54.44 110.415 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.511 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 73.13 109.999 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.251 -0.648 . . . . 70.21 109.251 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -39.8 158.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 74.2 109.277 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.79 42.78 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 71.41 110.964 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -156.69 41.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 63.34 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.492 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 30.4 t90 -171.65 -75.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 63.34 108.062 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 10' ' ' THR . 15.7 tttm -145.83 42.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 73.14 109.341 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER 82.19 -48.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 75.41 110.486 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.409 ' N ' HG22 ' A' ' 10' ' ' THR . 1.6 t80 -52.73 -171.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 72.44 111.042 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -53.74 -18.44 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 54.44 110.414 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.492 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 73.13 110.03 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' ASN . 5.5 tptm . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.216 -0.661 . . . . 70.21 109.216 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' LYS . 10.9 p30 -39.68 157.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 74.2 109.275 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 t80 64.44 43.95 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 71.41 110.939 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -155.01 43.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 63.34 111.013 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.524 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 36.3 t90 -176.26 -76.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.559 1.162 . . . . 63.34 108.006 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.524 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -145.38 45.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.14 109.31 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER 81.41 -49.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 75.41 110.347 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.554 ' CD2' HG22 ' A' ' 12' ' ' THR . 1.5 t80 -51.95 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 72.44 110.999 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.554 HG22 ' CD2' ' A' ' 11' ' ' PHE . 1.6 t -52.49 -19.44 2.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 54.44 110.421 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.499 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.5 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 73.13 110.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 pttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.281 -0.637 . . . . 70.21 109.281 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 6.0 p-10 -41.74 154.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.2 109.256 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.463 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 2.3 t80 73.69 155.98 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 71.41 110.96 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.6 t80 59.56 41.68 18.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 63.34 111.029 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.63 ' CE3' ' CB ' ' A' ' 9' ' ' LYS . 83.4 t90 -161.42 -80.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 63.34 108.02 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.63 ' CB ' ' CE3' ' A' ' 8' ' ' TRP . 4.6 tttm -151.27 33.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 73.14 109.355 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.513 HG22 ' N ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER 75.93 -54.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 75.41 110.451 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.513 ' N ' HG22 ' A' ' 10' ' ' THR . 0.6 OUTLIER -51.47 -174.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 72.44 111.086 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ASN . 30.6 p -48.21 -22.12 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 54.44 110.389 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.577 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 5.2 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 73.13 110.028 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.3 -0.63 . . . . 70.21 109.3 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -70.69 164.48 24.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 74.2 109.28 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 66.87 44.1 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 71.41 111.006 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.401 ' C ' ' CB ' ' A' ' 13' ' ' SER . 12.4 m-85 -154.76 43.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 63.34 110.986 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.516 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 5.3 t90 -175.83 -75.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 63.34 107.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -152.55 51.12 0.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.461 1.101 . . . . 73.14 109.375 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER 79.27 -51.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 75.41 110.392 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CD2' HG22 ' A' ' 12' ' ' THR . 1.9 t80 -50.06 -177.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 72.44 110.96 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.568 HG22 ' CD2' ' A' ' 11' ' ' PHE . 2.7 t -47.08 -22.99 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 54.44 110.485 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.516 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 73.13 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.291 -0.633 . . . . 72.13 109.291 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.42 147.49 18.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 33.44 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.8 m 63.3 108.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.31 -0.996 . . . . 72.24 108.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -129.48 101.2 5.84 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.547 1.155 . . . . 70.21 109.292 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 29.8 p-10 -44.87 153.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.2 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 1.4 t80 73.44 174.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 71.41 110.975 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 45.22 39.31 4.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 63.34 110.998 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.577 ' CE3' ' CB ' ' A' ' 9' ' ' LYS . 69.6 t90 -156.0 -77.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 63.34 107.967 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.577 ' CB ' ' CE3' ' A' ' 8' ' ' TRP . 72.0 tttt -144.73 40.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 73.14 109.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p 49.25 22.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 75.41 110.351 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.2 OUTLIER -134.48 -171.75 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 72.44 110.979 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -40.04 -27.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 54.44 110.33 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.568 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 3.6 m 70.57 -150.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.162 . . . . 73.13 109.994 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 13' ' ' SER . 2.0 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 51.53 108.25 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.315 -0.624 . . . . 72.13 109.315 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.27 -122.08 1.02 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 33.44 110.991 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 13' ' ' SER . 11.9 t -131.05 116.09 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.338 -0.986 . . . . 72.24 108.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -144.78 114.48 7.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.149 . . . . 70.21 109.256 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 32.1 p30 -41.24 161.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 74.2 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 1.8 t80 73.37 177.85 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 71.41 111.034 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' PHE . 10.9 m-85 36.84 39.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 63.34 110.988 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 63.6 t90 -153.08 -77.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 63.34 107.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.572 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -147.84 40.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 73.14 109.303 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.6 m 47.93 23.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 75.41 110.36 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' C ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -134.2 -167.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 72.44 111.037 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 t -41.63 -26.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 54.44 110.403 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.572 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 23.5 m 62.69 -174.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.13 110.023 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 13' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 51.53 108.33 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.25 -0.648 . . . . 72.13 109.25 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.39 -141.02 15.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 33.44 110.974 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -140.39 176.21 8.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.293 -1.003 . . . . 72.24 108.293 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ASN . 1.5 pttm -133.15 75.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 70.21 109.365 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' LYS . 3.3 p30 -39.76 156.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 74.2 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 64.78 45.47 3.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 71.41 110.994 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -156.43 43.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 63.34 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.501 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 36.1 t90 -176.4 -76.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 63.34 108.005 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -145.5 45.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 73.14 109.227 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.5 m 81.18 -49.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 75.41 110.442 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' THR . 2.0 t80 -51.91 -172.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 72.44 111.037 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' OG ' ' A' ' 13' ' ' SER . 2.5 p -52.52 -19.4 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 54.44 110.44 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p 55.22 24.88 6.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 73.13 110.012 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 51.53 108.303 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.349 -0.612 . . . . 72.13 109.349 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.8 147.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 33.44 110.991 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.41 ' CB ' ' OG1' ' A' ' 12' ' ' THR . 2.7 m -152.01 170.02 20.93 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.201 -1.037 . . . . 72.24 108.201 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' ASN . 3.8 ttmm -142.66 81.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 70.21 109.272 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' LYS . 15.4 p30 -39.83 157.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.2 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 63.25 46.0 4.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 71.41 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -156.8 43.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 63.34 111.045 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 35.5 t90 -176.4 -76.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 63.34 107.993 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -145.48 45.77 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.44 1.088 . . . . 73.14 109.308 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.5 m 81.24 -49.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 75.41 110.385 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CD2' HG22 ' A' ' 12' ' ' THR . 1.2 t80 -51.94 -172.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 72.44 110.969 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.566 HG22 ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -52.56 -19.39 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 54.44 110.372 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.5 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p 55.22 24.92 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 73.13 110.029 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 51.53 108.251 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.339 -0.615 . . . . 72.13 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.82 159.16 4.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 33.44 111.018 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.647 ' SG ' HG22 ' A' ' 12' ' ' THR . 0.4 OUTLIER -82.72 134.05 35.14 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.255 -1.017 . . . . 72.24 108.255 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -164.1 94.21 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 70.21 109.284 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 4' ' ' LYS . 21.5 p-10 -44.5 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.2 109.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 57.18 44.14 22.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 71.41 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -155.44 43.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 63.34 111.024 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.502 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 25.4 t90 -176.48 -76.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 63.34 108.043 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 10' ' ' THR . 4.9 ttmt -147.21 46.41 1.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.436 1.085 . . . . 73.14 109.279 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.5 m 80.67 -50.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 75.41 110.394 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -51.41 -174.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 72.44 110.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.647 HG22 ' SG ' ' A' ' 3' ' ' CYS . 2.5 m -50.39 -20.83 1.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 54.44 110.302 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.502 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.3 p 55.37 24.72 6.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 73.13 109.993 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 51.53 108.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.282 -0.636 . . . . 72.13 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.58 -143.68 17.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 33.44 110.968 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.8 m 64.8 171.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.331 -0.988 . . . . 72.24 108.331 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -173.01 136.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 70.21 109.312 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 47.2 p-10 -58.01 158.29 6.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 74.2 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER 69.99 42.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 71.41 110.983 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -154.64 43.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 63.34 110.958 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 5.5 t90 -174.95 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 63.34 107.954 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 10' ' ' THR . 8.2 tttp -152.46 50.58 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 73.14 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.7 m 79.65 -51.8 0.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 75.41 110.431 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.696 ' CD2' HG22 ' A' ' 12' ' ' THR . 2.0 t80 -50.16 -177.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 72.44 110.975 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.696 HG22 ' CD2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -47.22 -22.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 54.44 110.415 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.511 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 0.1 OUTLIER 57.99 -172.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 73.13 109.999 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 51.53 108.259 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.365 -0.606 . . . . 72.13 109.365 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.16 -126.53 5.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 33.44 111.033 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 1.9 t 77.45 141.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.298 -1.001 . . . . 72.24 108.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER 179.76 115.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 70.21 109.251 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -39.8 158.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 74.2 109.277 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.79 42.78 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 71.41 110.964 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -156.69 41.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 63.34 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.492 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 30.4 t90 -171.65 -75.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 63.34 108.062 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 10' ' ' THR . 15.7 tttm -145.83 42.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 73.14 109.341 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER 82.19 -48.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 75.41 110.486 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' N ' HG22 ' A' ' 10' ' ' THR . 1.6 t80 -52.73 -171.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 72.44 111.042 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -53.74 -18.44 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 54.44 110.414 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.492 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p 55.11 -174.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 73.13 110.03 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 51.53 108.261 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.305 -0.628 . . . . 72.13 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.73 -157.83 1.8 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 33.44 110.973 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 109.85 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.307 -0.997 . . . . 72.24 108.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' ASN . 5.5 tptm -143.83 82.94 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 70.21 109.216 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' LYS . 10.9 p30 -39.68 157.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 74.2 109.275 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 t80 64.44 43.95 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 71.41 110.939 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -155.01 43.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 63.34 111.013 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.524 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 36.3 t90 -176.26 -76.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.559 1.162 . . . . 63.34 108.006 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.524 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -145.38 45.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.14 109.31 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER 81.41 -49.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 75.41 110.347 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.554 ' CD2' HG22 ' A' ' 12' ' ' THR . 1.5 t80 -51.95 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 72.44 110.999 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.554 HG22 ' CD2' ' A' ' 11' ' ' PHE . 1.6 t -52.49 -19.44 2.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 54.44 110.421 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.499 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.5 p 55.13 24.82 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 73.13 110.023 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.518 ' H ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 51.53 108.256 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.371 -0.603 . . . . 72.13 109.371 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.0 119.91 17.89 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.525 1.141 . . . . 33.44 110.972 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 19.8 m 64.55 155.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.246 -1.02 . . . . 72.24 108.246 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -159.58 111.31 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 70.21 109.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 6.0 p-10 -41.74 154.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.2 109.256 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.463 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 2.3 t80 73.69 155.98 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 71.41 110.96 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.6 t80 59.56 41.68 18.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 63.34 111.029 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.63 ' CE3' ' CB ' ' A' ' 9' ' ' LYS . 83.4 t90 -161.42 -80.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 63.34 108.02 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.63 ' CB ' ' CE3' ' A' ' 8' ' ' TRP . 4.6 tttm -151.27 33.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 73.14 109.355 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.513 HG22 ' N ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER 75.93 -54.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 75.41 110.451 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.513 ' N ' HG22 ' A' ' 10' ' ' THR . 0.6 OUTLIER -51.47 -174.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 72.44 111.086 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ASN . 30.6 p -48.21 -22.12 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 54.44 110.389 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.577 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 5.2 m 75.9 -158.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 73.13 110.028 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 13' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 51.53 108.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.372 -0.603 . . . . 72.13 109.372 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.63 -109.19 0.3 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.505 1.128 . . . . 33.44 110.991 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' SG ' ' OG1' ' A' ' 12' ' ' THR . 8.1 t 61.07 156.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.289 -1.004 . . . . 72.24 108.289 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.38 127.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 70.21 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -70.69 164.48 24.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 74.2 109.28 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 66.87 44.1 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 71.41 111.006 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.401 ' C ' ' CB ' ' A' ' 13' ' ' SER . 12.4 m-85 -154.76 43.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 63.34 110.986 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.516 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 5.3 t90 -175.83 -75.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 63.34 107.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -152.55 51.12 0.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.461 1.101 . . . . 73.14 109.375 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER 79.27 -51.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 75.41 110.392 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CD2' HG22 ' A' ' 12' ' ' THR . 1.9 t80 -50.06 -177.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 72.44 110.96 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.601 HG23 ' H ' ' A' ' 14' ' ' CYS . 2.7 t -47.08 -22.99 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 54.44 110.485 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.516 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER 57.77 25.24 11.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 73.13 110.007 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.601 ' H ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 51.53 108.253 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 pttt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.292 -0.633 . . . . 70.209999999999994 109.292 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 29.8 p-10 -44.87 153.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.200000000000003 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 1.4 t80 73.44 174.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 71.409999999999997 110.975 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 45.22 39.31 4.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 63.340000000000003 110.998 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.577 ' CE3' ' CB ' ' A' ' 9' ' ' LYS . 69.6 t90 -156.0 -77.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 63.340000000000003 107.967 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.577 ' CB ' ' CE3' ' A' ' 8' ' ' TRP . 72.0 tttt -144.73 40.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 73.140000000000001 109.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p 49.25 22.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 75.409999999999997 110.351 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.2 OUTLIER -134.48 -171.75 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 72.439999999999998 110.979 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -40.04 -27.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 54.439999999999998 110.33 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.568 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 3.6 m . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.162 . . . . 73.129999999999995 109.994 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.256 -0.646 . . . . 70.209999999999994 109.256 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 32.1 p30 -41.24 161.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 74.200000000000003 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 1.8 t80 73.37 177.85 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 71.409999999999997 111.034 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' PHE . 10.9 m-85 36.84 39.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 63.340000000000003 110.988 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 63.6 t90 -153.08 -77.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 63.340000000000003 107.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.572 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -147.84 40.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 73.140000000000001 109.303 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.6 m 47.93 23.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 75.409999999999997 110.36 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' C ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -134.2 -167.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 72.439999999999998 111.037 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 t -41.63 -26.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 54.439999999999998 110.403 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.572 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 23.5 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.129999999999995 110.023 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ASN . 1.5 pttm . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.365 -0.606 . . . . 70.209999999999994 109.365 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' LYS . 3.3 p30 -39.76 156.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 74.200000000000003 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 64.78 45.47 3.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 71.409999999999997 110.994 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -156.43 43.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 63.340000000000003 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.501 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 36.1 t90 -176.4 -76.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 63.340000000000003 108.005 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -145.5 45.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 73.140000000000001 109.227 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.5 m 81.18 -49.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 75.409999999999997 110.442 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' THR . 2.0 t80 -51.91 -172.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 72.439999999999998 111.037 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' OG ' ' A' ' 13' ' ' SER . 2.5 p -52.52 -19.4 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 54.439999999999998 110.44 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 73.129999999999995 110.012 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' ASN . 3.8 ttmm . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.272 -0.64 . . . . 70.209999999999994 109.272 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' LYS . 15.4 p30 -39.83 157.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.200000000000003 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 63.25 46.0 4.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 71.409999999999997 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -156.8 43.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 63.340000000000003 111.045 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 35.5 t90 -176.4 -76.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 63.340000000000003 107.993 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -145.48 45.77 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.44 1.088 . . . . 73.140000000000001 109.308 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.5 m 81.24 -49.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 75.409999999999997 110.385 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CD2' HG22 ' A' ' 12' ' ' THR . 1.2 t80 -51.94 -172.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 72.439999999999998 110.969 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.566 HG22 ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -52.56 -19.39 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 54.439999999999998 110.372 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.5 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 73.129999999999995 110.029 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.284 -0.636 . . . . 70.209999999999994 109.284 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.661 HD22 ' N ' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -44.5 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.200000000000003 109.319 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 57.18 44.14 22.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 71.409999999999997 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -155.44 43.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 63.340000000000003 111.024 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.502 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 25.4 t90 -176.48 -76.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 63.340000000000003 108.043 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 10' ' ' THR . 4.9 ttmt -147.21 46.41 1.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.436 1.085 . . . . 73.140000000000001 109.279 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.5 m 80.67 -50.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 75.409999999999997 110.394 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -51.41 -174.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 72.439999999999998 110.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 m -50.39 -20.83 1.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 54.439999999999998 110.302 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.502 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.3 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 73.129999999999995 109.993 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.312 -0.625 . . . . 70.209999999999994 109.312 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 47.2 p-10 -58.01 158.29 6.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 74.200000000000003 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER 69.99 42.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 71.409999999999997 110.983 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -154.64 43.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 63.340000000000003 110.958 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 5.5 t90 -174.95 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 63.340000000000003 107.954 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 10' ' ' THR . 8.2 tttp -152.46 50.58 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 73.140000000000001 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.7 m 79.65 -51.8 0.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 75.409999999999997 110.431 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.696 ' CD2' HG22 ' A' ' 12' ' ' THR . 2.0 t80 -50.16 -177.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 72.439999999999998 110.975 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.696 HG22 ' CD2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -47.22 -22.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 54.439999999999998 110.415 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.511 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 73.129999999999995 109.999 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.251 -0.648 . . . . 70.209999999999994 109.251 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -39.8 158.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 74.200000000000003 109.277 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.79 42.78 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 71.409999999999997 110.964 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -156.69 41.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 63.340000000000003 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.492 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 30.4 t90 -171.65 -75.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 63.340000000000003 108.062 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 10' ' ' THR . 15.7 tttm -145.83 42.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 73.140000000000001 109.341 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER 82.19 -48.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 75.409999999999997 110.486 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.409 ' N ' HG22 ' A' ' 10' ' ' THR . 1.6 t80 -52.73 -171.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 111.042 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -53.74 -18.44 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 54.439999999999998 110.414 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.492 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 73.129999999999995 110.03 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' ASN . 5.5 tptm . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.216 -0.661 . . . . 70.209999999999994 109.216 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' LYS . 10.9 p30 -39.68 157.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 74.200000000000003 109.275 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 t80 64.44 43.95 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 71.409999999999997 110.939 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -155.01 43.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 63.340000000000003 111.013 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.524 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 36.3 t90 -176.26 -76.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.559 1.162 . . . . 63.340000000000003 108.006 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.524 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -145.38 45.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.140000000000001 109.31 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER 81.41 -49.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 75.409999999999997 110.347 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.554 ' CD2' HG22 ' A' ' 12' ' ' THR . 1.5 t80 -51.95 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 72.439999999999998 110.999 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.554 HG22 ' CD2' ' A' ' 11' ' ' PHE . 1.6 t -52.49 -19.44 2.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 54.439999999999998 110.421 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.499 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.5 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 73.129999999999995 110.023 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 pttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.281 -0.637 . . . . 70.209999999999994 109.281 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 6.0 p-10 -41.74 154.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.200000000000003 109.256 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.463 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 2.3 t80 73.69 155.98 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 71.409999999999997 110.96 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.6 t80 59.56 41.68 18.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 63.340000000000003 111.029 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.63 ' CE3' ' CB ' ' A' ' 9' ' ' LYS . 83.4 t90 -161.42 -80.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 63.340000000000003 108.02 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.63 ' CB ' ' CE3' ' A' ' 8' ' ' TRP . 4.6 tttm -151.27 33.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 73.140000000000001 109.355 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.513 HG22 ' N ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER 75.93 -54.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 75.409999999999997 110.451 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.513 ' N ' HG22 ' A' ' 10' ' ' THR . 0.6 OUTLIER -51.47 -174.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 72.439999999999998 111.086 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ASN . 30.6 p -48.21 -22.12 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 54.439999999999998 110.389 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.577 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 5.2 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 73.129999999999995 110.028 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.3 -0.63 . . . . 70.209999999999994 109.3 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -70.69 164.48 24.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 74.200000000000003 109.28 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 66.87 44.1 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 71.409999999999997 111.006 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.401 ' C ' ' CB ' ' A' ' 13' ' ' SER . 12.4 m-85 -154.76 43.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 63.340000000000003 110.986 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.516 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 5.3 t90 -175.83 -75.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 63.340000000000003 107.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -152.55 51.12 0.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.461 1.101 . . . . 73.140000000000001 109.375 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER 79.27 -51.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 75.409999999999997 110.392 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CD2' HG22 ' A' ' 12' ' ' THR . 1.9 t80 -50.06 -177.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 72.439999999999998 110.96 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.568 HG22 ' CD2' ' A' ' 11' ' ' PHE . 2.7 t -47.08 -22.99 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 54.439999999999998 110.485 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.516 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 73.129999999999995 110.007 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.291 -0.633 . . . . 72.129999999999995 109.291 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.42 147.49 18.62 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 33.439999999999998 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.8 m 63.3 108.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.31 -0.996 . . . . 72.239999999999995 108.31 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -129.48 101.2 5.84 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.547 1.155 . . . . 70.209999999999994 109.292 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 29.8 p-10 -44.87 153.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.200000000000003 109.274 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 1.4 t80 73.44 174.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 71.409999999999997 110.975 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 45.22 39.31 4.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 63.340000000000003 110.998 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.577 ' CE3' ' CB ' ' A' ' 9' ' ' LYS . 69.6 t90 -156.0 -77.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 63.340000000000003 107.967 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.577 ' CB ' ' CE3' ' A' ' 8' ' ' TRP . 72.0 tttt -144.73 40.04 1.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 73.140000000000001 109.289 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p 49.25 22.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 75.409999999999997 110.351 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.2 OUTLIER -134.48 -171.75 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 72.439999999999998 110.979 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -40.04 -27.59 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 54.439999999999998 110.33 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.568 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 3.6 m 70.57 -150.64 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.162 . . . . 73.129999999999995 109.994 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 13' ' ' SER . 2.0 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 51.530000000000001 108.25 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.315 -0.624 . . . . 72.129999999999995 109.315 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.27 -122.08 1.02 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 33.439999999999998 110.991 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 13' ' ' SER . 11.9 t -131.05 116.09 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.338 -0.986 . . . . 72.239999999999995 108.338 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -144.78 114.48 7.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.149 . . . . 70.209999999999994 109.256 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 32.1 p30 -41.24 161.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 74.200000000000003 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.47 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 1.8 t80 73.37 177.85 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 71.409999999999997 111.034 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' PHE . 10.9 m-85 36.84 39.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 63.340000000000003 110.988 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 63.6 t90 -153.08 -77.14 0.12 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 63.340000000000003 107.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.572 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -147.84 40.16 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 73.140000000000001 109.303 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.6 m 47.93 23.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 75.409999999999997 110.36 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' C ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -134.2 -167.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 72.439999999999998 111.037 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 t -41.63 -26.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 54.439999999999998 110.403 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.572 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 23.5 m 62.69 -174.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.129999999999995 110.023 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 13' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.548 1.155 . . . . 51.530000000000001 108.33 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.25 -0.648 . . . . 72.129999999999995 109.25 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.39 -141.02 15.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 33.439999999999998 110.974 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 m -140.39 176.21 8.96 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.293 -1.003 . . . . 72.239999999999995 108.293 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ASN . 1.5 pttm -133.15 75.77 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 70.209999999999994 109.365 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' LYS . 3.3 p30 -39.76 156.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 74.200000000000003 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 64.78 45.47 3.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 71.409999999999997 110.994 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -156.43 43.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 63.340000000000003 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.501 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 36.1 t90 -176.4 -76.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 63.340000000000003 108.005 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 10' ' ' THR . 0.4 OUTLIER -145.5 45.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 73.140000000000001 109.227 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.5 m 81.18 -49.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 75.409999999999997 110.442 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' THR . 2.0 t80 -51.91 -172.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 72.439999999999998 111.037 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' OG ' ' A' ' 13' ' ' SER . 2.5 p -52.52 -19.4 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 54.439999999999998 110.44 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p 55.22 24.88 6.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 73.129999999999995 110.012 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 51.530000000000001 108.303 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.349 -0.612 . . . . 72.129999999999995 109.349 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.8 147.97 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 33.439999999999998 110.991 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.41 ' CB ' ' OG1' ' A' ' 12' ' ' THR . 2.7 m -152.01 170.02 20.93 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.201 -1.037 . . . . 72.239999999999995 108.201 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' ASN . 3.8 ttmm -142.66 81.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 70.209999999999994 109.272 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' LYS . 15.4 p30 -39.83 157.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 74.200000000000003 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 63.25 46.0 4.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 71.409999999999997 110.992 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -156.8 43.22 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 63.340000000000003 111.045 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 35.5 t90 -176.4 -76.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 63.340000000000003 107.993 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -145.48 45.77 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.44 1.088 . . . . 73.140000000000001 109.308 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.5 m 81.24 -49.81 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 75.409999999999997 110.385 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CD2' HG22 ' A' ' 12' ' ' THR . 1.2 t80 -51.94 -172.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 72.439999999999998 110.969 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.566 HG22 ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -52.56 -19.39 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 54.439999999999998 110.372 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.5 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p 55.22 24.92 6.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 73.129999999999995 110.029 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 51.530000000000001 108.251 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.339 -0.615 . . . . 72.129999999999995 109.339 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.82 159.16 4.8 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.55 1.156 . . . . 33.439999999999998 111.018 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.647 ' SG ' HG22 ' A' ' 12' ' ' THR . 0.4 OUTLIER -82.72 134.05 35.14 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.255 -1.017 . . . . 72.239999999999995 108.255 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -164.1 94.21 0.73 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 70.209999999999994 109.284 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.661 HD22 ' N ' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -44.5 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 74.200000000000003 109.319 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 57.18 44.14 22.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 71.409999999999997 111.013 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -155.44 43.34 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 63.340000000000003 111.024 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.502 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 25.4 t90 -176.48 -76.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 63.340000000000003 108.043 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 10' ' ' THR . 4.9 ttmt -147.21 46.41 1.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.436 1.085 . . . . 73.140000000000001 109.279 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.5 m 80.67 -50.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 75.409999999999997 110.394 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -51.41 -174.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.068 . . . . 72.439999999999998 110.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.647 HG22 ' SG ' ' A' ' 3' ' ' CYS . 2.5 m -50.39 -20.83 1.21 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 54.439999999999998 110.302 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.502 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.3 p 55.37 24.72 6.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 73.129999999999995 109.993 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 51.530000000000001 108.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.282 -0.636 . . . . 72.129999999999995 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.58 -143.68 17.95 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 33.439999999999998 110.968 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.8 m 64.8 171.16 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.331 -0.988 . . . . 72.239999999999995 108.331 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -173.01 136.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 70.209999999999994 109.312 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 47.2 p-10 -58.01 158.29 6.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 74.200000000000003 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER 69.99 42.96 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 71.409999999999997 110.983 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -154.64 43.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 63.340000000000003 110.958 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 5.5 t90 -174.95 -75.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 63.340000000000003 107.954 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 10' ' ' THR . 8.2 tttp -152.46 50.58 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 73.140000000000001 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 2.7 m 79.65 -51.8 0.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 75.409999999999997 110.431 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.696 ' CD2' HG22 ' A' ' 12' ' ' THR . 2.0 t80 -50.16 -177.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 72.439999999999998 110.975 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.696 HG22 ' CD2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -47.22 -22.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.125 . . . . 54.439999999999998 110.415 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.511 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 0.1 OUTLIER 57.99 -172.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 73.129999999999995 109.999 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 51.530000000000001 108.259 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.365 -0.606 . . . . 72.129999999999995 109.365 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.16 -126.53 5.04 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.479 1.112 . . . . 33.439999999999998 111.033 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 1.9 t 77.45 141.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.298 -1.001 . . . . 72.239999999999995 108.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER 179.76 115.23 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.543 1.152 . . . . 70.209999999999994 109.251 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -39.8 158.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 74.200000000000003 109.277 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 63.79 42.78 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 71.409999999999997 110.964 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -156.69 41.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 63.340000000000003 110.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.492 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 30.4 t90 -171.65 -75.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 63.340000000000003 108.062 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 10' ' ' THR . 15.7 tttm -145.83 42.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 73.140000000000001 109.341 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER 82.19 -48.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 75.409999999999997 110.486 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' N ' HG22 ' A' ' 10' ' ' THR . 1.6 t80 -52.73 -171.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 111.042 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -53.74 -18.44 3.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 54.439999999999998 110.414 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.492 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.4 p 55.11 -174.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 73.129999999999995 110.03 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 51.530000000000001 108.261 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.305 -0.628 . . . . 72.129999999999995 109.305 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.73 -157.83 1.8 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 33.439999999999998 110.973 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 109.85 3.78 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.307 -0.997 . . . . 72.239999999999995 108.307 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' ASN . 5.5 tptm -143.83 82.94 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 70.209999999999994 109.216 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' LYS . 10.9 p30 -39.68 157.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.454 1.096 . . . . 74.200000000000003 109.275 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.7 t80 64.44 43.95 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 71.409999999999997 110.939 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -155.01 43.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 63.340000000000003 111.013 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.524 ' CE3' ' HB2' ' A' ' 9' ' ' LYS . 36.3 t90 -176.26 -76.81 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.559 1.162 . . . . 63.340000000000003 108.006 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.524 ' HB2' ' CE3' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -145.38 45.59 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 73.140000000000001 109.31 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.5 OUTLIER 81.41 -49.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 75.409999999999997 110.347 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.554 ' CD2' HG22 ' A' ' 12' ' ' THR . 1.5 t80 -51.95 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 72.439999999999998 110.999 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.554 HG22 ' CD2' ' A' ' 11' ' ' PHE . 1.6 t -52.49 -19.44 2.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 54.439999999999998 110.421 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.499 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 1.5 p 55.13 24.82 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 73.129999999999995 110.023 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.518 ' H ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 51.530000000000001 108.256 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.371 -0.603 . . . . 72.129999999999995 109.371 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.0 119.91 17.89 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.525 1.141 . . . . 33.439999999999998 110.972 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 19.8 m 64.55 155.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.246 -1.02 . . . . 72.239999999999995 108.246 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -159.58 111.31 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 70.209999999999994 109.281 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 6.0 p-10 -41.74 154.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.200000000000003 109.256 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.463 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 2.3 t80 73.69 155.98 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 71.409999999999997 110.96 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.6 t80 59.56 41.68 18.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 63.340000000000003 111.029 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.63 ' CE3' ' CB ' ' A' ' 9' ' ' LYS . 83.4 t90 -161.42 -80.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 63.340000000000003 108.02 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.63 ' CB ' ' CE3' ' A' ' 8' ' ' TRP . 4.6 tttm -151.27 33.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 73.140000000000001 109.355 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.513 HG22 ' N ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER 75.93 -54.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 75.409999999999997 110.451 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.513 ' N ' HG22 ' A' ' 10' ' ' THR . 0.6 OUTLIER -51.47 -174.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 72.439999999999998 111.086 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 5' ' ' ASN . 30.6 p -48.21 -22.12 0.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 54.439999999999998 110.389 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.577 ' HA ' ' CE3' ' A' ' 8' ' ' TRP . 5.2 m 75.9 -158.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 73.129999999999995 110.028 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 13' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 51.530000000000001 108.289 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.372 -0.603 . . . . 72.129999999999995 109.372 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.63 -109.19 0.3 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.505 1.128 . . . . 33.439999999999998 110.991 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' SG ' ' OG1' ' A' ' 12' ' ' THR . 8.1 t 61.07 156.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.289 -1.004 . . . . 72.239999999999995 108.289 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.38 127.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 70.209999999999994 109.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -70.69 164.48 24.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 74.200000000000003 109.28 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 66.87 44.1 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 71.409999999999997 111.006 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.401 ' C ' ' CB ' ' A' ' 13' ' ' SER . 12.4 m-85 -154.76 43.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 63.340000000000003 110.986 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.516 ' HB2' ' CB ' ' A' ' 13' ' ' SER . 5.3 t90 -175.83 -75.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 63.340000000000003 107.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -152.55 51.12 0.76 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.461 1.101 . . . . 73.140000000000001 109.375 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER 79.27 -51.99 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 75.409999999999997 110.392 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CD2' HG22 ' A' ' 12' ' ' THR . 1.9 t80 -50.06 -177.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 72.439999999999998 110.96 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.601 HG23 ' H ' ' A' ' 14' ' ' CYS . 2.7 t -47.08 -22.99 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 54.439999999999998 110.485 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.516 ' CB ' ' HB2' ' A' ' 8' ' ' TRP . 0.2 OUTLIER 57.77 25.24 11.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 73.129999999999995 110.007 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.601 ' H ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 51.530000000000001 108.253 179.97 . . . . . . . . 2 2 . 1 stop_ save_