data_1s4t_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 1s4t _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.455 0.169 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -135.18 133.39 20.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 110.243 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 134.64 18.13 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 1.0 110.962 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 64.2 mt -141.26 28.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 -165.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 9.4 mm -12.74 110.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.282 -111.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.07 64.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 109.62 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -35.56 126.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.978 167.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -143.07 61.9 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 1.0 110.994 -28.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.65 -19.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 1.0 109.312 -162.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.58 48.55 9.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.297 159.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -101.13 -7.38 23.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 1.0 110.961 -168.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.48 7.44 14.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 1.0 110.312 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.52 -40.92 62.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 1.0 109.347 -168.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -69.31 -13.77 62.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.387 1.054 . . . . 1.0 110.263 -167.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -107.44 -11.91 15.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 1.0 110.996 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -128.39 41.79 3.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 1.0 111.063 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 153' ' ' ASN . 10.8 ptt180 -92.84 51.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.328 -177.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -77.39 33.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 1.0 110.287 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.452 ' H ' ' C ' ' A' ' 151' ' ' ARG . 3.9 p30 -169.63 13.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 1.0 109.383 -173.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 22.1 ttt -159.26 146.74 17.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 1.0 111.01 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 117.023 -1.465 . . . . 1.0 110.992 168.266 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.445 0.164 . . . . 1.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.0 mtm105 -143.7 147.88 40.78 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 1.0 110.316 172.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 148.33 35.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.771 . . . . 1.0 111.045 169.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tp -134.4 31.02 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 1.0 109.299 164.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 32.0 mm 36.38 116.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 1.0 109.29 -127.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -143.02 48.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.607 1.192 . . . . 1.0 109.556 -175.06 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 140' ' ' HIS . 48.7 m-85 -31.33 125.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 1.0 110.918 170.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -130.14 53.19 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 1.0 111.016 -37.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.21 -11.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 1.0 109.342 -160.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.0 t0 62.04 68.3 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 109.263 171.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.407 ' CD2' ' HG3' ' A' ' 146' ' ' GLU . 1.1 p90 -66.35 -15.07 62.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 1.0 110.986 171.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.407 ' HG3' ' CD2' ' A' ' 145' ' ' TYR . 22.6 mt-10 -86.74 -1.59 57.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 1.0 110.276 -171.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.63 -30.13 71.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -165.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . 0.402 ' H ' ' HD2' ' A' ' 148' ' ' ARG . 0.0 OUTLIER -60.42 -19.48 56.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 110.294 -176.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -111.97 -28.89 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 1.0 110.954 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -96.52 29.04 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 1.0 111.003 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -102.3 56.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 110.344 169.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.67 32.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 110.292 162.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -163.95 8.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.0 109.322 -165.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 53.9 ttm -156.89 137.21 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 111.071 -168.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 116.955 -1.498 . . . . 1.0 110.976 174.595 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.445 ' H3 ' ' CG ' ' A' ' 144' ' ' ASP . 2.5 t . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.535 0.207 . . . . 1.0 111.007 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -62.6 147.43 92.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 110.276 165.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 132.91 15.8 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.518 1.799 . . . . 1.0 110.975 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tp -114.01 16.94 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.344 173.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 32.7 mm 26.15 112.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.323 -123.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.59 56.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.0 109.631 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -24.18 126.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 110.955 154.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.45 57.74 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 1.0 110.987 -32.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.24 -21.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 1.0 109.234 -163.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . 0.445 ' CG ' ' H3 ' ' A' ' 135' ' ' SER . 12.6 t0 58.05 55.51 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 165.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -74.15 -7.63 53.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.0 110.983 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -82.44 3.89 26.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 -170.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.411 ' HA ' ' HB2' ' A' ' 135' ' ' SER . 7.3 t70 -67.03 -35.54 80.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.29 -175.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -71.97 -11.08 60.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 1.0 110.216 -166.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -97.01 -24.49 15.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 110.958 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -127.98 58.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 1.0 111.041 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -92.31 47.41 1.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 1.0 110.294 -160.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -87.03 40.8 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 110.329 -176.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -154.13 -41.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 1.0 109.282 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 18.5 mmt -136.55 129.44 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 1.0 110.915 -176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.019 -1.467 . . . . 1.0 110.955 -173.854 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.46 ' HG ' ' CG ' ' A' ' 144' ' ' ASP . 19.6 p . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.549 0.214 . . . . 1.0 111.034 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -47.23 144.31 4.38 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 1.0 110.345 168.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 153.13 41.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.802 . . . . 1.0 111.018 172.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.01 21.12 6.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.215 170.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 11.8 mm 19.68 118.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 1.0 109.274 -111.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.73 50.96 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.531 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -27.12 126.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 111.005 158.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -140.78 55.93 0.61 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.492 1.12 . . . . 1.0 111.041 -30.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -147.81 -4.73 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 0.728 . . . . 1.0 109.256 -164.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . 0.46 ' CG ' ' HG ' ' A' ' 135' ' ' SER . 3.0 t70 58.23 54.04 6.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 167.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -9.91 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 110.978 -175.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -79.41 5.11 13.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 110.33 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.11 -35.66 26.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 1.0 109.34 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -69.07 -14.67 63.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 1.0 110.288 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -122.3 -48.56 2.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 1.0 111.041 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -121.78 49.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 110.992 -161.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 153' ' ' ASN . 5.5 ptp180 -83.32 53.42 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 110.314 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.45 38.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.329 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.2 p-10 -152.2 9.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 1.0 109.274 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 28.4 ttt -160.44 135.1 7.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 1.0 111.02 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.04 -1.457 . . . . 1.0 110.992 169.714 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.501 0.191 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -57.83 153.33 32.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 110.246 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 121.54 6.64 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.495 1.787 . . . . 1.0 110.961 172.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 81.7 mt -140.87 34.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.332 -168.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.6 mm -13.58 104.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.234 -117.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.85 58.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 1.0 109.588 -173.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -36.51 125.3 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 1.0 111.022 172.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -141.9 56.41 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.572 1.17 . . . . 1.0 111.074 -31.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.56 -9.51 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 1.0 109.335 -162.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.5 t70 59.13 56.1 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 173.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -2.63 35.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 110.98 -172.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.25 16.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 1.0 110.265 170.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -48.59 -38.17 20.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -68.69 -12.62 61.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.5 1.125 . . . . 1.0 110.289 -168.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -119.91 -43.48 2.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 1.0 110.991 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.66 59.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 1.0 111.021 -171.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' A' ' 153' ' ' ASN . 6.1 ptp180 -82.42 52.13 1.98 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.544 1.153 . . . . 1.0 110.312 170.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -75.39 33.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 110.258 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.495 ' H ' ' C ' ' A' ' 151' ' ' ARG . 27.4 m120 -143.97 -4.66 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 1.0 109.345 -176.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.4 ttp -159.09 129.86 6.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 1.0 111.038 -172.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 116.984 -1.484 . . . . 1.0 111.026 178.657 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.428 0.156 . . . . 1.0 111.061 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -154.3 125.23 3.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 110.305 -175.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.87 10.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 1.0 110.995 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.33 23.66 6.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.442 1.089 . . . . 1.0 109.255 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 26.5 mm 27.83 113.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 1.0 109.3 -119.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.52 53.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 1.0 109.609 -171.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -32.87 125.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 1.0 111.051 169.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.04 52.33 0.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 1.0 111.016 -38.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -148.85 -12.54 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 1.0 109.317 -158.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 18.2 t0 57.09 54.75 6.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 1.0 109.343 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -73.58 -4.98 37.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 1.0 110.968 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -84.13 5.93 24.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 1.0 110.325 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -51.96 -37.74 54.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.329 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -77.78 -13.01 60.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 1.0 110.265 -165.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -95.76 -20.33 18.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 110.984 176.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -136.63 66.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 110.962 -170.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.428 ' C ' ' H ' ' A' ' 153' ' ' ASN . 3.4 ptm180 -92.98 54.68 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 110.318 -164.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -79.46 36.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 1.0 110.262 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.2 p-10 -159.56 41.21 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 1.0 109.288 -176.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 15.6 ttt -150.39 153.7 36.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 1.0 111.013 -174.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 61.7 t80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.028 -1.463 . . . . 1.0 110.995 161.681 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.596 0.236 . . . . 1.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.449 ' HE ' ' CD ' ' A' ' 152' ' ' GLU . 74.2 mtt180 -54.57 147.85 28.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 1.0 110.291 168.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.04 3.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 1.0 110.97 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.19 12.31 30.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.16 . . . . 1.0 109.247 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.2 mm 28.93 118.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.33 -122.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.01 54.07 1.98 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 1.0 109.656 -173.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -30.87 124.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 111.013 163.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -137.85 55.04 0.69 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 1.0 110.962 -34.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.83 -6.71 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 1.0 109.344 -160.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.8 t70 58.36 52.55 7.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.242 171.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -99.39 -12.78 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 1.0 111.048 -165.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.3 OUTLIER -81.43 2.11 30.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 110.325 172.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.57 -29.82 69.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.317 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -12.54 47.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.0 110.358 -177.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.05 -33.2 6.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 1.0 110.978 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -133.4 63.69 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 111.0 -172.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -94.78 53.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 110.33 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.449 ' CD ' ' HE ' ' A' ' 136' ' ' ARG . 0.7 OUTLIER -83.32 37.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 1.0 110.301 170.257 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.02 34.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 1.0 109.292 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 44.1 ttm -153.51 154.39 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 1.0 110.99 -169.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.065 -1.445 . . . . 1.0 111.0 167.898 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.49 0.186 . . . . 1.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -50.39 153.21 2.71 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 1.0 110.34 163.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 132.62 15.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 1.0 110.996 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 59.7 mt -115.63 19.31 15.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 1.0 109.335 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 25.5 mm 21.54 111.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.367 -118.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.02 60.58 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.61 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -33.13 125.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 1.0 111.014 166.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.63 52.62 0.73 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.572 1.17 . . . . 1.0 111.018 -35.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.83 3.17 0.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.523 0.778 . . . . 1.0 109.243 -162.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.0 t0 57.21 49.82 12.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 1.0 109.282 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.401 ' C ' ' H ' ' A' ' 147' ' ' ASP . 28.7 p90 -81.0 -2.54 48.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 1.0 110.955 -164.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.18 19.97 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 1.0 110.354 171.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 145' ' ' TYR . 0.7 OUTLIER -47.9 -38.78 17.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 1.0 109.278 174.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -64.11 -15.18 59.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.108 . . . . 1.0 110.338 -170.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -121.54 -45.64 2.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 110.989 -174.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -132.4 61.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 1.0 110.972 -170.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.46 ' C ' ' H ' ' A' ' 153' ' ' ASN . 1.1 ptp180 -80.27 51.83 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.611 1.194 . . . . 1.0 110.283 171.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -78.0 33.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.308 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.46 ' H ' ' C ' ' A' ' 151' ' ' ARG . 1.7 p-10 -175.7 26.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 1.0 109.262 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 7.9 mtt -152.2 170.29 20.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 1.0 111.023 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.938 -1.506 . . . . 1.0 111.05 -163.778 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.527 0.203 . . . . 1.0 111.084 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -142.81 101.1 5.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 1.0 110.333 -161.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 153.97 42.71 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.551 1.816 . . . . 1.0 110.991 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.5 tp -153.64 24.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 1.0 109.331 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.1 mm 36.91 116.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 -126.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.3 OUTLIER -154.62 45.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 1.0 109.629 -169.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 140' ' ' HIS . 58.8 m-85 -33.52 125.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 110.972 173.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -152.69 55.72 0.44 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 1.0 110.964 -31.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.27 3.37 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 109.276 -166.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 17.1 t70 61.14 57.42 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.278 167.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -120.08 -16.48 8.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 1.0 111.053 -169.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.509 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -88.33 -0.05 56.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 1.0 110.314 169.49 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.76 -43.68 75.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 109.266 -170.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -66.12 -17.28 64.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 1.0 110.278 -156.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.25 -39.73 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 110.989 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -124.68 40.65 3.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 111.032 -163.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 39.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 110.338 -160.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -90.28 46.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 110.326 -169.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -137.99 23.95 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 1.0 109.355 167.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 25.2 ttp -144.32 161.03 40.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 1.0 111.056 -169.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 116.98 -1.486 . . . . 1.0 110.996 165.007 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.495 0.188 . . . . 1.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.434 HH22 ' HB2' ' A' ' 152' ' ' GLU . 26.6 ttm180 -138.94 129.1 14.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.332 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 110.22 3.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 1.0 111.058 173.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 46.3 mt -123.9 22.89 8.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 1.0 109.298 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 19.1 mm 37.81 128.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 -119.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.97 32.05 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 109.595 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -28.86 126.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 111.039 158.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -142.42 53.59 0.62 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 1.0 111.02 -33.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -146.87 2.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 0.807 . . . . 1.0 109.326 -164.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 23.5 t70 63.68 61.16 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.323 158.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.402 ' CD2' ' HG3' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -103.27 -28.72 11.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 1.0 110.978 -171.667 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -72.06 -14.53 61.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 110.368 -176.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.03 -33.01 74.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 1.0 109.323 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -65.78 -16.04 63.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 1.0 110.34 -171.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -118.59 -54.17 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 1.0 110.977 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -110.83 49.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 1.0 110.989 -159.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -91.02 43.22 1.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.434 ' HB2' HH22 ' A' ' 136' ' ' ARG . 5.0 mp0 -85.53 41.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 110.263 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -166.21 24.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 14.0 ttp -156.15 22.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 1.0 110.988 -170.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.0 -1.476 . . . . 1.0 110.983 -171.842 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.478 0.18 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -139.13 157.3 71.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 110.274 161.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 110.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 1.0 111.003 163.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 76.1 mt -136.07 9.46 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.1 mm 31.18 110.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 1.0 109.293 -133.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.51 64.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 1.0 109.597 -174.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -33.79 125.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 1.0 111.038 170.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -136.74 55.93 0.69 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 1.0 111.013 -33.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.61 -16.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 1.0 109.288 -162.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 146' ' ' GLU . 22.4 t0 56.79 60.12 3.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 109.326 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.27 9.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 1.0 110.969 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.471 ' H ' ' C ' ' A' ' 144' ' ' ASP . 34.5 mt-10 -92.06 13.25 19.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 1.0 110.366 -164.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -58.21 -50.1 74.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 1.0 109.302 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -76.56 -15.19 59.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 110.309 -165.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -94.17 -48.43 6.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.478 1.111 . . . . 1.0 111.029 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -118.83 61.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 -167.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.05 50.77 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 1.0 110.336 -168.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -85.26 37.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 110.298 166.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -147.19 24.23 1.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.591 1.182 . . . . 1.0 109.269 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 39.4 ttm -154.18 158.65 40.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 1.0 110.974 -173.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.005 -1.474 . . . . 1.0 111.061 168.049 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.449 ' HA ' ' OD1' ' A' ' 144' ' ' ASP . 4.5 t . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.512 0.196 . . . . 1.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 137' ' ' PRO . 95.5 mtt180 -144.96 135.28 11.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 110.265 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.98 146.19 32.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 1.0 110.983 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 12.3 tp -153.89 35.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 12.3 mm -18.15 110.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.301 -108.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -125.26 67.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.626 1.204 . . . . 1.0 109.657 -177.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -35.66 128.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 1.0 111.014 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -150.63 58.65 0.44 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.457 1.098 . . . . 1.0 110.991 -26.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.15 -22.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 1.0 109.328 -166.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . 0.449 ' OD1' ' HA ' ' A' ' 135' ' ' SER . 2.2 t0 57.75 52.97 7.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 1.0 109.321 163.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -73.55 -11.79 60.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 110.973 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.73 -0.32 26.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 1.0 110.287 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -53.02 -36.27 60.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 1.0 109.262 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -69.46 -13.38 62.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 1.0 110.271 -168.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -100.73 -17.62 16.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 111.004 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -136.94 62.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 1.0 110.96 -176.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.429 ' C ' ' H ' ' A' ' 153' ' ' ASN . 11.9 ptp180 -98.48 50.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 1.0 110.255 -158.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -78.05 36.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 1.0 110.292 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' A' ' 151' ' ' ARG . 1.2 p-10 -166.79 13.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 1.0 109.332 -176.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.7 tpp -165.84 149.92 8.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.383 1.052 . . . . 1.0 110.991 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.03 -1.462 . . . . 1.0 110.996 174.615 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.501 0.191 . . . . 1.0 111.037 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.455 ' H ' ' NH1' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -66.48 132.1 94.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 1.0 110.268 -173.726 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 1.0 110.94 158.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 71.6 mt -137.22 14.61 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 109.306 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 19.9 mm 39.31 125.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 1.0 109.351 -127.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -133.79 48.58 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 1.0 109.615 -174.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -28.36 124.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 1.0 110.96 161.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -131.45 51.73 0.85 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 1.0 110.951 -36.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -173.36 -13.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 1.0 109.307 -153.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.1 t70 64.77 59.62 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 1.0 109.274 172.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -68.79 -11.41 60.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 110.939 -172.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -72.43 -4.83 32.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 110.281 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -54.31 -33.48 58.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 1.0 109.325 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -69.64 -11.46 60.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 1.0 110.296 -169.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -117.93 -16.9 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 111.077 173.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -141.58 78.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.0 111.023 -173.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -78.35 52.54 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 1.0 110.371 -175.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.63 40.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 1.0 110.279 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -136.5 14.31 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 63.6 mtt -141.45 156.82 45.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.996 -167.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.975 -1.488 . . . . 1.0 111.027 166.734 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.45 ' H2 ' ' CG ' ' A' ' 144' ' ' ASP . 12.7 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.463 0.173 . . . . 1.0 110.994 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -163.73 115.59 1.02 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.553 1.158 . . . . 1.0 110.307 -171.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.38 40.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.466 1.772 . . . . 1.0 110.995 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.7 tp -157.25 33.4 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 1.0 109.334 -172.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 10.3 mm -22.55 115.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 1.0 109.312 -100.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 140' ' ' HIS . 5.2 p80 -136.16 79.92 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 1.0 109.677 176.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -43.51 137.47 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 1.0 110.987 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.86 57.36 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 1.0 111.025 -20.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.87 -22.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.759 . . . . 1.0 109.306 -169.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . 0.45 ' CG ' ' H2 ' ' A' ' 135' ' ' SER . 33.4 t0 69.38 46.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.273 144.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.471 ' C ' ' H ' ' A' ' 147' ' ' ASP . 39.7 p90 -110.07 -5.81 15.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.596 1.185 . . . . 1.0 110.985 173.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.58 20.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 1.0 110.249 171.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 145' ' ' TYR . 26.1 t70 -50.49 -37.86 40.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 1.0 109.348 -176.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.46 -13.53 61.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 1.0 110.36 -167.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -96.14 -23.14 16.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 111.008 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -117.92 23.66 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.182 . . . . 1.0 110.981 -170.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.448 ' H ' ' HG3' ' A' ' 151' ' ' ARG . 0.0 OUTLIER -92.71 37.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 110.274 -171.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -86.69 40.47 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 1.0 110.238 -164.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -152.65 -0.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.254 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' MET . . . . . 0.404 ' HG2' ' H ' ' A' ' 155' ' ' TYR . 2.8 ttt -165.93 -169.18 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 1.0 111.01 -170.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.404 ' H ' ' HG2' ' A' ' 154' ' ' MET . 38.1 m-85 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 116.919 -1.515 . . . . 1.0 111.033 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.582 0.23 . . . . 1.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -113.09 93.38 25.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 1.0 110.361 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 111.91 3.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 1.0 111.03 -174.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 70.5 mt -134.6 27.84 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 1.0 109.228 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 20.2 mm 39.84 125.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 1.0 109.289 -124.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . 0.525 ' HD1' ' CD ' ' A' ' 146' ' ' GLU . 0.4 OUTLIER -149.86 60.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.616 -171.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -37.91 131.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 110.978 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.44 59.89 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 1.0 110.994 -29.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . 0.417 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.4 OUTLIER -158.67 -6.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 1.0 109.271 -169.254 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . 0.417 ' H ' ' H ' ' A' ' 143' ' ' ASN . 29.0 t0 55.22 58.86 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 109.29 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -80.4 28.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 1.0 111.034 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.525 ' CD ' ' HD1' ' A' ' 140' ' ' HIS . 21.7 mt-10 -115.77 10.02 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.255 -156.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -51.75 -38.21 54.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 1.0 109.333 -173.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 63.1 mtm-85 -69.31 -12.95 62.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 1.0 110.334 -167.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -121.9 -48.97 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 1.0 110.941 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -139.07 77.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 1.0 111.014 -169.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.503 ' C ' ' H ' ' A' ' 153' ' ' ASN . 8.7 ptp180 -89.64 52.88 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.425 1.078 . . . . 1.0 110.347 165.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.18 35.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 110.28 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.503 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p-10 -157.82 15.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.4 ttp -160.49 144.38 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.068 . . . . 1.0 111.099 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.016 -1.468 . . . . 1.0 110.979 171.313 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.561 ' H1 ' ' CG ' ' A' ' 147' ' ' ASP . 22.1 t . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.465 0.174 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -152.55 130.9 6.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 1.0 110.291 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 121.3 6.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 1.0 110.994 164.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.04 14.17 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 1.0 109.302 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.9 mm 41.15 124.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -128.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.09 44.63 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 1.0 109.636 -168.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -33.25 124.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 1.0 111.013 162.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.99 53.94 0.79 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.569 1.168 . . . . 1.0 111.062 -37.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.64 -15.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 1.0 109.223 -159.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 36.2 t0 63.33 54.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 162.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.418 ' C ' ' H ' ' A' ' 147' ' ' ASP . 15.3 p90 -132.83 -2.38 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 1.0 110.931 -169.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -78.71 15.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.0 110.309 -174.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.561 ' CG ' ' H1 ' ' A' ' 135' ' ' SER . 78.5 m-20 -53.77 -44.76 70.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -72.44 -12.89 61.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 1.0 110.318 -165.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -93.53 -30.73 14.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 1.0 111.057 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -137.99 62.26 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 110.991 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.26 38.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 1.0 110.32 -158.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -92.4 47.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 1.0 110.293 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -161.52 21.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 1.0 109.305 165.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 2.8 ttt -158.17 -175.98 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 111.0 -161.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.036 -1.459 . . . . 1.0 111.035 164.832 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.555 0.217 . . . . 1.0 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -142.11 131.33 12.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 1.0 110.361 -165.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.57 2.75 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 1.0 110.986 165.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.89 19.61 11.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.344 -175.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.6 mm 30.96 119.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 1.0 109.361 -117.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.7 39.4 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 1.0 109.618 -170.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -30.9 125.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 1.0 111.005 159.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.46 53.3 0.8 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 1.0 111.031 -38.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.0 -12.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 1.0 109.269 -158.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 22.4 t70 55.79 53.38 9.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 1.0 109.29 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -92.23 -12.99 31.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.0 110.993 -175.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.71 -7.29 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.283 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.98 -33.94 58.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 1.0 109.342 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -62.12 -15.9 48.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 1.0 110.26 -173.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -115.11 -18.47 11.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 111.007 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -128.22 64.3 1.4 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 1.0 110.997 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 153' ' ' ASN . 14.5 ptp180 -92.06 51.47 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 1.0 110.27 -172.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -76.44 37.66 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 1.0 110.321 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p-10 -171.15 21.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 1.0 109.256 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 35.4 ttp -158.52 154.12 26.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 1.0 111.019 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 116.983 -1.484 . . . . 1.0 110.969 171.475 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.415 0.15 . . . . 1.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -133.18 165.34 37.42 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.587 1.18 . . . . 1.0 110.288 169.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 112.89 3.67 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.445 1.761 . . . . 1.0 110.961 169.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.0 tp -141.57 8.37 1.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 1.0 109.338 172.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.9 mm 23.03 105.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 1.0 109.329 -130.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -106.04 59.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 109.563 -169.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -35.38 129.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 1.0 110.952 166.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -137.64 70.94 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 1.0 110.982 -34.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -172.18 -18.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 1.0 109.311 -161.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.1 t0 61.41 65.28 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.552 1.158 . . . . 1.0 109.3 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -60.85 -13.63 16.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 1.0 111.029 168.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -77.65 -3.98 43.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 110.312 -173.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.7 -35.81 81.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 1.0 109.368 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -72.49 -16.11 61.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 1.0 110.298 -172.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 149' ' ' TYR . 2.8 m-85 -105.42 -53.87 2.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.493 1.12 . . . . 1.0 110.981 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -142.99 82.24 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.956 -165.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.462 ' C ' ' H ' ' A' ' 153' ' ' ASN . 8.9 ptp180 -87.6 53.38 2.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 1.0 110.369 162.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -77.1 37.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 110.331 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p30 -168.14 16.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 1.0 109.306 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 49.5 ttp -155.84 143.08 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 1.0 110.973 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 116.989 -1.481 . . . . 1.0 110.952 174.035 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 150' ' ' TYR . 12.0 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.455 0.169 . . . . 1.0 110.991 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.91 152.32 29.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.615 1.197 . . . . 1.0 110.274 -171.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 146.46 32.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.772 . . . . 1.0 110.933 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.5 mt -148.66 33.32 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 1.0 109.33 -166.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 mm -22.47 114.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 -103.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.23 65.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.618 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -34.68 127.36 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 110.948 171.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -144.74 55.65 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 1.0 110.961 -28.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -146.31 -3.11 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.724 . . . . 1.0 109.254 -166.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.36 49.59 16.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 1.0 109.314 173.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -8.52 54.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 111.012 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.74 11.56 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.13 -37.62 15.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 1.0 109.24 166.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -61.75 -14.88 36.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 1.0 110.264 -171.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -120.08 -52.66 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.984 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.413 ' HB3' ' HA ' ' A' ' 135' ' ' SER . 12.7 m-30 -97.17 34.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 1.0 111.076 -167.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . 0.479 ' C ' ' H ' ' A' ' 153' ' ' ASN . 1.3 ptp180 -81.44 49.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 110.289 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.1 31.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.307 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 151' ' ' ARG . 10.0 p-10 -175.6 17.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 1.0 109.23 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 72.6 mtm -144.29 174.7 10.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 111.003 -173.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 116.951 -1.5 . . . . 1.0 111.053 -163.391 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.522 0.201 . . . . 1.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.412 HH22 ' HB2' ' A' ' 152' ' ' GLU . 40.9 ttm180 -154.94 123.37 2.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.345 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 131.48 14.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 1.0 110.903 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.0 mt -121.84 25.04 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 1.0 109.314 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 25.9 mm 34.45 114.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.308 -128.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -145.59 51.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 1.0 109.63 -169.865 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 140' ' ' HIS . 2.8 m-85 -34.32 122.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 1.0 110.937 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -141.56 53.23 0.65 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 1.0 111.017 -35.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.27 5.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 0.754 . . . . 1.0 109.285 -162.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 25.5 t0 58.14 56.3 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.27 161.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.87 -12.05 45.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 1.0 111.034 -175.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.82 0.88 22.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 1.0 110.279 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.96 -25.6 68.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.415 1.072 . . . . 1.0 109.302 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -13.7 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 1.0 110.313 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -123.75 -54.85 1.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.992 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -96.05 56.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 1.0 110.977 -161.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -106.65 48.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 1.0 110.312 151.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.412 ' HB2' HH22 ' A' ' 136' ' ' ARG . 2.7 mt-10 -87.14 35.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 1.0 110.332 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -168.49 17.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 1.0 109.312 -172.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 16.0 ptm -164.7 173.93 11.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 110.967 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.013 -1.47 . . . . 1.0 110.995 168.588 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.455 0.169 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -135.18 133.39 20.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 110.243 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 134.64 18.13 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 1.0 110.962 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 64.2 mt -141.26 28.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 -165.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 9.4 mm -12.74 110.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.282 -111.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.07 64.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 109.62 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -35.56 126.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.978 167.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -143.07 61.9 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 1.0 110.994 -28.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.65 -19.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 1.0 109.312 -162.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.58 48.55 9.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.297 159.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -101.13 -7.38 23.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 1.0 110.961 -168.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.48 7.44 14.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 1.0 110.312 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.52 -40.92 62.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 1.0 109.347 -168.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -69.31 -13.77 62.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.387 1.054 . . . . 1.0 110.263 -167.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -107.44 -11.91 15.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 1.0 110.996 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -128.39 41.79 3.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 1.0 111.063 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.452 ' C ' ' H ' ' A' ' 153' ' ' ASN . 10.8 ptt180 -92.84 51.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.328 -177.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -77.39 33.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 1.0 110.287 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.452 ' H ' ' C ' ' A' ' 151' ' ' ARG . 3.9 p30 -169.63 13.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 1.0 109.383 -173.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 22.1 ttt -159.26 146.74 17.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 1.0 111.01 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 117.023 -1.465 . . . . 1.0 110.992 168.266 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.445 0.164 . . . . 1.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.0 mtm105 -143.7 147.88 40.78 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 1.0 110.316 172.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 148.33 35.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.771 . . . . 1.0 111.045 169.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tp -134.4 31.02 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 1.0 109.299 164.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 32.0 mm 36.38 116.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 1.0 109.29 -127.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -143.02 48.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.607 1.192 . . . . 1.0 109.556 -175.06 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 140' ' ' HIS . 48.7 m-85 -31.33 125.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 1.0 110.918 170.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -130.14 53.19 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 1.0 111.016 -37.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.21 -11.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 1.0 109.342 -160.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.0 t0 62.04 68.3 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 109.263 171.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.407 ' CD2' ' HG3' ' A' ' 146' ' ' GLU . 1.1 p90 -66.35 -15.07 62.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 1.0 110.986 171.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.407 ' HG3' ' CD2' ' A' ' 145' ' ' TYR . 22.6 mt-10 -86.74 -1.59 57.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 1.0 110.276 -171.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.63 -30.13 71.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -165.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . 0.402 ' H ' ' HD2' ' A' ' 148' ' ' ARG . 0.0 OUTLIER -60.42 -19.48 56.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 110.294 -176.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -111.97 -28.89 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 1.0 110.954 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -96.52 29.04 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 1.0 111.003 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -102.3 56.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 110.344 169.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.67 32.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 110.292 162.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -163.95 8.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.0 109.322 -165.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 53.9 ttm -156.89 137.21 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 111.071 -168.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 116.955 -1.498 . . . . 1.0 110.976 174.595 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.445 ' H3 ' ' CG ' ' A' ' 144' ' ' ASP . 2.5 t . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.535 0.207 . . . . 1.0 111.007 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -62.6 147.43 92.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 110.276 165.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 132.91 15.8 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.518 1.799 . . . . 1.0 110.975 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tp -114.01 16.94 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.344 173.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 32.7 mm 26.15 112.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.323 -123.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.59 56.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.0 109.631 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -24.18 126.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 110.955 154.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.45 57.74 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 1.0 110.987 -32.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.24 -21.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 1.0 109.234 -163.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.445 ' CG ' ' H3 ' ' A' ' 135' ' ' SER . 12.6 t0 58.05 55.51 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 165.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -74.15 -7.63 53.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.0 110.983 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -82.44 3.89 26.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 -170.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.411 ' HA ' ' HB2' ' A' ' 135' ' ' SER . 7.3 t70 -67.03 -35.54 80.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.29 -175.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -71.97 -11.08 60.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 1.0 110.216 -166.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -97.01 -24.49 15.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 110.958 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -127.98 58.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 1.0 111.041 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -92.31 47.41 1.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 1.0 110.294 -160.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -87.03 40.8 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 110.329 -176.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -154.13 -41.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 1.0 109.282 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 18.5 mmt -136.55 129.44 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 1.0 110.915 -176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.019 -1.467 . . . . 1.0 110.955 -173.854 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.46 ' HG ' ' CG ' ' A' ' 144' ' ' ASP . 19.6 p . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.549 0.214 . . . . 1.0 111.034 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -47.23 144.31 4.38 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 1.0 110.345 168.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 153.13 41.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.802 . . . . 1.0 111.018 172.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.01 21.12 6.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.215 170.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 11.8 mm 19.68 118.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 1.0 109.274 -111.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.73 50.96 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.531 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -27.12 126.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 111.005 158.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -140.78 55.93 0.61 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.492 1.12 . . . . 1.0 111.041 -30.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -147.81 -4.73 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 0.728 . . . . 1.0 109.256 -164.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.46 ' CG ' ' HG ' ' A' ' 135' ' ' SER . 3.0 t70 58.23 54.04 6.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 167.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -9.91 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 110.978 -175.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -79.41 5.11 13.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 110.33 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.11 -35.66 26.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 1.0 109.34 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -69.07 -14.67 63.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 1.0 110.288 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -122.3 -48.56 2.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 1.0 111.041 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -121.78 49.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 110.992 -161.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 153' ' ' ASN . 5.5 ptp180 -83.32 53.42 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 110.314 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.45 38.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.329 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.2 p-10 -152.2 9.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 1.0 109.274 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 28.4 ttt -160.44 135.1 7.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 1.0 111.02 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.04 -1.457 . . . . 1.0 110.992 169.714 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.501 0.191 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -57.83 153.33 32.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 110.246 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 121.54 6.64 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.495 1.787 . . . . 1.0 110.961 172.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 81.7 mt -140.87 34.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.332 -168.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.6 mm -13.58 104.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.234 -117.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.85 58.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 1.0 109.588 -173.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -36.51 125.3 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 1.0 111.022 172.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -141.9 56.41 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.572 1.17 . . . . 1.0 111.074 -31.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.56 -9.51 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 1.0 109.335 -162.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.5 t70 59.13 56.1 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 173.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -2.63 35.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 110.98 -172.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.25 16.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 1.0 110.265 170.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -48.59 -38.17 20.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -68.69 -12.62 61.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.5 1.125 . . . . 1.0 110.289 -168.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -119.91 -43.48 2.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 1.0 110.991 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.66 59.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 1.0 111.021 -171.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' A' ' 153' ' ' ASN . 6.1 ptp180 -82.42 52.13 1.98 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.544 1.153 . . . . 1.0 110.312 170.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -75.39 33.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 110.258 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.495 ' H ' ' C ' ' A' ' 151' ' ' ARG . 27.4 m120 -143.97 -4.66 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 1.0 109.345 -176.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.4 ttp -159.09 129.86 6.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 1.0 111.038 -172.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 116.984 -1.484 . . . . 1.0 111.026 178.657 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.428 0.156 . . . . 1.0 111.061 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -154.3 125.23 3.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 110.305 -175.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.87 10.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 1.0 110.995 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.33 23.66 6.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.442 1.089 . . . . 1.0 109.255 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 26.5 mm 27.83 113.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 1.0 109.3 -119.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.52 53.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 1.0 109.609 -171.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -32.87 125.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 1.0 111.051 169.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.04 52.33 0.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 1.0 111.016 -38.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -148.85 -12.54 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 1.0 109.317 -158.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 18.2 t0 57.09 54.75 6.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 1.0 109.343 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -73.58 -4.98 37.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 1.0 110.968 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -84.13 5.93 24.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 1.0 110.325 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -51.96 -37.74 54.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.329 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -77.78 -13.01 60.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 1.0 110.265 -165.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -95.76 -20.33 18.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 110.984 176.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -136.63 66.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 110.962 -170.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.428 ' C ' ' H ' ' A' ' 153' ' ' ASN . 3.4 ptm180 -92.98 54.68 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 110.318 -164.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -79.46 36.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 1.0 110.262 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.2 p-10 -159.56 41.21 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 1.0 109.288 -176.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 15.6 ttt -150.39 153.7 36.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 1.0 111.013 -174.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 61.7 t80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.028 -1.463 . . . . 1.0 110.995 161.681 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.596 0.236 . . . . 1.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.449 ' HE ' ' CD ' ' A' ' 152' ' ' GLU . 74.2 mtt180 -54.57 147.85 28.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 1.0 110.291 168.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.04 3.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 1.0 110.97 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.19 12.31 30.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.16 . . . . 1.0 109.247 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.2 mm 28.93 118.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.33 -122.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.01 54.07 1.98 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 1.0 109.656 -173.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -30.87 124.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 111.013 163.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -137.85 55.04 0.69 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 1.0 110.962 -34.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.83 -6.71 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 1.0 109.344 -160.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.8 t70 58.36 52.55 7.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.242 171.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -99.39 -12.78 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 1.0 111.048 -165.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.3 OUTLIER -81.43 2.11 30.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 110.325 172.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.57 -29.82 69.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.317 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -12.54 47.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.0 110.358 -177.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.05 -33.2 6.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 1.0 110.978 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -133.4 63.69 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 111.0 -172.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -94.78 53.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 110.33 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.449 ' CD ' ' HE ' ' A' ' 136' ' ' ARG . 0.7 OUTLIER -83.32 37.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 1.0 110.301 170.257 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.02 34.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 1.0 109.292 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 44.1 ttm -153.51 154.39 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 1.0 110.99 -169.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.065 -1.445 . . . . 1.0 111.0 167.898 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.49 0.186 . . . . 1.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -50.39 153.21 2.71 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 1.0 110.34 163.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 132.62 15.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 1.0 110.996 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 59.7 mt -115.63 19.31 15.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 1.0 109.335 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 25.5 mm 21.54 111.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.367 -118.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.02 60.58 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.61 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -33.13 125.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 1.0 111.014 166.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.63 52.62 0.73 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.572 1.17 . . . . 1.0 111.018 -35.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.83 3.17 0.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.523 0.778 . . . . 1.0 109.243 -162.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.0 t0 57.21 49.82 12.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 1.0 109.282 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.401 ' C ' ' H ' ' A' ' 147' ' ' ASP . 28.7 p90 -81.0 -2.54 48.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 1.0 110.955 -164.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.18 19.97 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 1.0 110.354 171.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 145' ' ' TYR . 0.7 OUTLIER -47.9 -38.78 17.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 1.0 109.278 174.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -64.11 -15.18 59.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.108 . . . . 1.0 110.338 -170.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -121.54 -45.64 2.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 110.989 -174.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -132.4 61.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 1.0 110.972 -170.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.46 ' C ' ' H ' ' A' ' 153' ' ' ASN . 1.1 ptp180 -80.27 51.83 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.611 1.194 . . . . 1.0 110.283 171.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -78.0 33.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.308 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.46 ' H ' ' C ' ' A' ' 151' ' ' ARG . 1.7 p-10 -175.7 26.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 1.0 109.262 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 7.9 mtt -152.2 170.29 20.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 1.0 111.023 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.938 -1.506 . . . . 1.0 111.05 -163.778 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.527 0.203 . . . . 1.0 111.084 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -142.81 101.1 5.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 1.0 110.333 -161.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 153.97 42.71 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.551 1.816 . . . . 1.0 110.991 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.5 tp -153.64 24.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 1.0 109.331 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.1 mm 36.91 116.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 -126.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.3 OUTLIER -154.62 45.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 1.0 109.629 -169.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 140' ' ' HIS . 58.8 m-85 -33.52 125.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 110.972 173.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -152.69 55.72 0.44 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 1.0 110.964 -31.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.27 3.37 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 109.276 -166.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 17.1 t70 61.14 57.42 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.278 167.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -120.08 -16.48 8.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 1.0 111.053 -169.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.509 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -88.33 -0.05 56.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 1.0 110.314 169.49 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.76 -43.68 75.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 109.266 -170.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -66.12 -17.28 64.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 1.0 110.278 -156.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.25 -39.73 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 110.989 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -124.68 40.65 3.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 111.032 -163.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.31 39.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 110.338 -160.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -90.28 46.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 110.326 -169.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -137.99 23.95 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 1.0 109.355 167.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 25.2 ttp -144.32 161.03 40.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 1.0 111.056 -169.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 116.98 -1.486 . . . . 1.0 110.996 165.007 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.495 0.188 . . . . 1.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.434 HH22 ' HB2' ' A' ' 152' ' ' GLU . 26.6 ttm180 -138.94 129.1 14.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.332 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 110.22 3.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 1.0 111.058 173.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 46.3 mt -123.9 22.89 8.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 1.0 109.298 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 19.1 mm 37.81 128.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 -119.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.97 32.05 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 109.595 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -28.86 126.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 111.039 158.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -142.42 53.59 0.62 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 1.0 111.02 -33.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -146.87 2.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 0.807 . . . . 1.0 109.326 -164.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 23.5 t70 63.68 61.16 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.323 158.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.402 ' CD2' ' HG3' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -103.27 -28.72 11.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 1.0 110.978 -171.667 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -72.06 -14.53 61.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 110.368 -176.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.03 -33.01 74.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 1.0 109.323 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -65.78 -16.04 63.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 1.0 110.34 -171.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -118.59 -54.17 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 1.0 110.977 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -110.83 49.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 1.0 110.989 -159.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -91.02 43.22 1.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.434 ' HB2' HH22 ' A' ' 136' ' ' ARG . 5.0 mp0 -85.53 41.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 110.263 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -166.21 24.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 14.0 ttp -156.15 22.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 1.0 110.988 -170.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.0 -1.476 . . . . 1.0 110.983 -171.842 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.478 0.18 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -139.13 157.3 71.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 110.274 161.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 110.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 1.0 111.003 163.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 76.1 mt -136.07 9.46 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.1 mm 31.18 110.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 1.0 109.293 -133.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.51 64.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 1.0 109.597 -174.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -33.79 125.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 1.0 111.038 170.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -136.74 55.93 0.69 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 1.0 111.013 -33.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.61 -16.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 1.0 109.288 -162.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 146' ' ' GLU . 22.4 t0 56.79 60.12 3.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 109.326 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.27 9.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 1.0 110.969 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.471 ' H ' ' C ' ' A' ' 144' ' ' ASP . 34.5 mt-10 -92.06 13.25 19.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 1.0 110.366 -164.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -58.21 -50.1 74.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 1.0 109.302 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -76.56 -15.19 59.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 110.309 -165.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -94.17 -48.43 6.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.478 1.111 . . . . 1.0 111.029 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -118.83 61.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 -167.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.05 50.77 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 1.0 110.336 -168.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -85.26 37.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 110.298 166.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -147.19 24.23 1.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.591 1.182 . . . . 1.0 109.269 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 39.4 ttm -154.18 158.65 40.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 1.0 110.974 -173.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.005 -1.474 . . . . 1.0 111.061 168.049 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.449 ' HA ' ' OD1' ' A' ' 144' ' ' ASP . 4.5 t . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.512 0.196 . . . . 1.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 137' ' ' PRO . 95.5 mtt180 -144.96 135.28 11.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 110.265 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.98 146.19 32.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 1.0 110.983 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 12.3 tp -153.89 35.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 12.3 mm -18.15 110.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.301 -108.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -125.26 67.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.626 1.204 . . . . 1.0 109.657 -177.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -35.66 128.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 1.0 111.014 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -150.63 58.65 0.44 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.457 1.098 . . . . 1.0 110.991 -26.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.15 -22.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 1.0 109.328 -166.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.449 ' OD1' ' HA ' ' A' ' 135' ' ' SER . 2.2 t0 57.75 52.97 7.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 1.0 109.321 163.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -73.55 -11.79 60.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 110.973 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.73 -0.32 26.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 1.0 110.287 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -53.02 -36.27 60.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 1.0 109.262 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -69.46 -13.38 62.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 1.0 110.271 -168.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -100.73 -17.62 16.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 111.004 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -136.94 62.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 1.0 110.96 -176.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.429 ' C ' ' H ' ' A' ' 153' ' ' ASN . 11.9 ptp180 -98.48 50.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 1.0 110.255 -158.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -78.05 36.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 1.0 110.292 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' A' ' 151' ' ' ARG . 1.2 p-10 -166.79 13.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 1.0 109.332 -176.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.7 tpp -165.84 149.92 8.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.383 1.052 . . . . 1.0 110.991 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.03 -1.462 . . . . 1.0 110.996 174.615 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.501 0.191 . . . . 1.0 111.037 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.455 ' H ' ' NH1' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -66.48 132.1 94.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 1.0 110.268 -173.726 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 1.0 110.94 158.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 71.6 mt -137.22 14.61 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 109.306 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 19.9 mm 39.31 125.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 1.0 109.351 -127.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -133.79 48.58 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 1.0 109.615 -174.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -28.36 124.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 1.0 110.96 161.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -131.45 51.73 0.85 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 1.0 110.951 -36.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -173.36 -13.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 1.0 109.307 -153.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.1 t70 64.77 59.62 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 1.0 109.274 172.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -68.79 -11.41 60.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 110.939 -172.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -72.43 -4.83 32.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 110.281 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -54.31 -33.48 58.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 1.0 109.325 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -69.64 -11.46 60.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 1.0 110.296 -169.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -117.93 -16.9 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 111.077 173.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -141.58 78.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.0 111.023 -173.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -78.35 52.54 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 1.0 110.371 -175.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.63 40.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 1.0 110.279 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -136.5 14.31 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 63.6 mtt -141.45 156.82 45.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.996 -167.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.975 -1.488 . . . . 1.0 111.027 166.734 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.45 ' H2 ' ' CG ' ' A' ' 144' ' ' ASP . 12.7 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.463 0.173 . . . . 1.0 110.994 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -163.73 115.59 1.02 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.553 1.158 . . . . 1.0 110.307 -171.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.38 40.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.466 1.772 . . . . 1.0 110.995 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.7 tp -157.25 33.4 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 1.0 109.334 -172.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 10.3 mm -22.55 115.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 1.0 109.312 -100.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 140' ' ' HIS . 5.2 p80 -136.16 79.92 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 1.0 109.677 176.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -43.51 137.47 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 1.0 110.987 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.86 57.36 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 1.0 111.025 -20.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.87 -22.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.759 . . . . 1.0 109.306 -169.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.45 ' CG ' ' H2 ' ' A' ' 135' ' ' SER . 33.4 t0 69.38 46.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.273 144.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.471 ' C ' ' H ' ' A' ' 147' ' ' ASP . 39.7 p90 -110.07 -5.81 15.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.596 1.185 . . . . 1.0 110.985 173.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.58 20.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 1.0 110.249 171.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 145' ' ' TYR . 26.1 t70 -50.49 -37.86 40.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 1.0 109.348 -176.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.46 -13.53 61.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 1.0 110.36 -167.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -96.14 -23.14 16.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 111.008 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -117.92 23.66 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.182 . . . . 1.0 110.981 -170.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.448 ' H ' ' HG3' ' A' ' 151' ' ' ARG . 0.0 OUTLIER -92.71 37.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 110.274 -171.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -86.69 40.47 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 1.0 110.238 -164.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -152.65 -0.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.254 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.404 ' HG2' ' H ' ' A' ' 155' ' ' TYR . 2.8 ttt -165.93 -169.18 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 1.0 111.01 -170.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.404 ' H ' ' HG2' ' A' ' 154' ' ' MET . 38.1 m-85 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 116.919 -1.515 . . . . 1.0 111.033 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.582 0.23 . . . . 1.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -113.09 93.38 25.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 1.0 110.361 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 111.91 3.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 1.0 111.03 -174.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 70.5 mt -134.6 27.84 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 1.0 109.228 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 20.2 mm 39.84 125.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 1.0 109.289 -124.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.525 ' HD1' ' CD ' ' A' ' 146' ' ' GLU . 0.4 OUTLIER -149.86 60.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.616 -171.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -37.91 131.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 110.978 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.44 59.89 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 1.0 110.994 -29.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.417 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.4 OUTLIER -158.67 -6.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 1.0 109.271 -169.254 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.417 ' H ' ' H ' ' A' ' 143' ' ' ASN . 29.0 t0 55.22 58.86 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 109.29 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -80.4 28.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 1.0 111.034 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.525 ' CD ' ' HD1' ' A' ' 140' ' ' HIS . 21.7 mt-10 -115.77 10.02 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.255 -156.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -51.75 -38.21 54.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 1.0 109.333 -173.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 63.1 mtm-85 -69.31 -12.95 62.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 1.0 110.334 -167.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -121.9 -48.97 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 1.0 110.941 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -139.07 77.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 1.0 111.014 -169.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.503 ' C ' ' H ' ' A' ' 153' ' ' ASN . 8.7 ptp180 -89.64 52.88 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.425 1.078 . . . . 1.0 110.347 165.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.18 35.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 110.28 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.503 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p-10 -157.82 15.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.4 ttp -160.49 144.38 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.068 . . . . 1.0 111.099 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.016 -1.468 . . . . 1.0 110.979 171.313 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.561 ' H1 ' ' CG ' ' A' ' 147' ' ' ASP . 22.1 t . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.465 0.174 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -152.55 130.9 6.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 1.0 110.291 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 121.3 6.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 1.0 110.994 164.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.04 14.17 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 1.0 109.302 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.9 mm 41.15 124.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -128.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.09 44.63 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 1.0 109.636 -168.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -33.25 124.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 1.0 111.013 162.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.99 53.94 0.79 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.569 1.168 . . . . 1.0 111.062 -37.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -153.64 -15.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 1.0 109.223 -159.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 36.2 t0 63.33 54.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 162.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.418 ' C ' ' H ' ' A' ' 147' ' ' ASP . 15.3 p90 -132.83 -2.38 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 1.0 110.931 -169.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -78.71 15.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.0 110.309 -174.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.561 ' CG ' ' H1 ' ' A' ' 135' ' ' SER . 78.5 m-20 -53.77 -44.76 70.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -72.44 -12.89 61.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 1.0 110.318 -165.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -93.53 -30.73 14.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 1.0 111.057 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -137.99 62.26 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 110.991 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.26 38.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 1.0 110.32 -158.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -92.4 47.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 1.0 110.293 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -161.52 21.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 1.0 109.305 165.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 2.8 ttt -158.17 -175.98 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 111.0 -161.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.036 -1.459 . . . . 1.0 111.035 164.832 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.555 0.217 . . . . 1.0 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -142.11 131.33 12.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 1.0 110.361 -165.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.57 2.75 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 1.0 110.986 165.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.89 19.61 11.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.344 -175.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.6 mm 30.96 119.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 1.0 109.361 -117.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.7 39.4 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 1.0 109.618 -170.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -30.9 125.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 1.0 111.005 159.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.46 53.3 0.8 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 1.0 111.031 -38.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.0 -12.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 1.0 109.269 -158.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 22.4 t70 55.79 53.38 9.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 1.0 109.29 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -92.23 -12.99 31.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.0 110.993 -175.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.71 -7.29 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.283 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.98 -33.94 58.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 1.0 109.342 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -62.12 -15.9 48.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 1.0 110.26 -173.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -115.11 -18.47 11.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 111.007 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -128.22 64.3 1.4 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 1.0 110.997 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 153' ' ' ASN . 14.5 ptp180 -92.06 51.47 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 1.0 110.27 -172.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -76.44 37.66 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 1.0 110.321 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p-10 -171.15 21.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 1.0 109.256 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 35.4 ttp -158.52 154.12 26.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 1.0 111.019 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 116.983 -1.484 . . . . 1.0 110.969 171.475 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.415 0.15 . . . . 1.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -133.18 165.34 37.42 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.587 1.18 . . . . 1.0 110.288 169.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 112.89 3.67 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.445 1.761 . . . . 1.0 110.961 169.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.0 tp -141.57 8.37 1.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 1.0 109.338 172.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.9 mm 23.03 105.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 1.0 109.329 -130.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -106.04 59.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 109.563 -169.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -35.38 129.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 1.0 110.952 166.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -137.64 70.94 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 1.0 110.982 -34.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -172.18 -18.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 1.0 109.311 -161.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.1 t0 61.41 65.28 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.552 1.158 . . . . 1.0 109.3 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -60.85 -13.63 16.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 1.0 111.029 168.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -77.65 -3.98 43.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 110.312 -173.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.7 -35.81 81.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 1.0 109.368 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -72.49 -16.11 61.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 1.0 110.298 -172.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 149' ' ' TYR . 2.8 m-85 -105.42 -53.87 2.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.493 1.12 . . . . 1.0 110.981 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -142.99 82.24 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.956 -165.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.462 ' C ' ' H ' ' A' ' 153' ' ' ASN . 8.9 ptp180 -87.6 53.38 2.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 1.0 110.369 162.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -77.1 37.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 110.331 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p30 -168.14 16.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 1.0 109.306 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 49.5 ttp -155.84 143.08 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 1.0 110.973 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 116.989 -1.481 . . . . 1.0 110.952 174.035 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 150' ' ' TYR . 12.0 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.455 0.169 . . . . 1.0 110.991 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.91 152.32 29.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.615 1.197 . . . . 1.0 110.274 -171.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 146.46 32.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.772 . . . . 1.0 110.933 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.5 mt -148.66 33.32 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 1.0 109.33 -166.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 mm -22.47 114.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 -103.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.23 65.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.618 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -34.68 127.36 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 110.948 171.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -144.74 55.65 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 1.0 110.961 -28.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -146.31 -3.11 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.724 . . . . 1.0 109.254 -166.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.36 49.59 16.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 1.0 109.314 173.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -8.52 54.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 111.012 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.74 11.56 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.13 -37.62 15.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 1.0 109.24 166.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -61.75 -14.88 36.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 1.0 110.264 -171.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -120.08 -52.66 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.984 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.413 ' HB3' ' HA ' ' A' ' 135' ' ' SER . 12.7 m-30 -97.17 34.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 1.0 111.076 -167.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.479 ' C ' ' H ' ' A' ' 153' ' ' ASN . 1.3 ptp180 -81.44 49.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 110.289 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.1 31.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.307 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 151' ' ' ARG . 10.0 p-10 -175.6 17.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 1.0 109.23 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 72.6 mtm -144.29 174.7 10.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 111.003 -173.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 116.951 -1.5 . . . . 1.0 111.053 -163.391 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.522 0.201 . . . . 1.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.412 HH22 ' HB2' ' A' ' 152' ' ' GLU . 40.9 ttm180 -154.94 123.37 2.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.345 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 131.48 14.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 1.0 110.903 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.0 mt -121.84 25.04 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 1.0 109.314 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 25.9 mm 34.45 114.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.308 -128.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -145.59 51.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 1.0 109.63 -169.865 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 140' ' ' HIS . 2.8 m-85 -34.32 122.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 1.0 110.937 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -141.56 53.23 0.65 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 1.0 111.017 -35.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.27 5.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 0.754 . . . . 1.0 109.285 -162.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 25.5 t0 58.14 56.3 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.27 161.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.87 -12.05 45.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 1.0 111.034 -175.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.82 0.88 22.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 1.0 110.279 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.96 -25.6 68.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.415 1.072 . . . . 1.0 109.302 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -13.7 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 1.0 110.313 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -123.75 -54.85 1.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.992 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -96.05 56.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 1.0 110.977 -161.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -106.65 48.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 1.0 110.312 151.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.412 ' HB2' HH22 ' A' ' 136' ' ' ARG . 2.7 mt-10 -87.14 35.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 1.0 110.332 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -168.49 17.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 1.0 109.312 -172.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 16.0 ptm -164.7 173.93 11.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 110.967 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.013 -1.47 . . . . 1.0 110.995 168.588 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.455 0.169 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -135.18 133.39 20.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 110.243 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 134.64 18.13 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 1.0 110.962 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 64.2 mt -141.26 28.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 -165.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 9.4 mm -12.74 110.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.282 -111.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.07 64.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 109.62 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -35.56 126.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.978 167.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -143.07 61.9 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 1.0 110.994 -28.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.65 -19.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 1.0 109.312 -162.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.58 48.55 9.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.297 159.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -101.13 -7.38 23.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 1.0 110.961 -168.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.48 7.44 14.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 1.0 110.312 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.52 -40.92 62.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 1.0 109.347 -168.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -69.31 -13.77 62.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.387 1.054 . . . . 1.0 110.263 -167.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -107.44 -11.91 15.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 1.0 110.996 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -128.39 41.79 3.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 1.0 111.063 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.458 ' C ' ' H ' ' A' ' 153' ' ' ASN . 10.8 ptt180 -92.84 51.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.328 -177.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -77.39 33.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 1.0 110.287 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 151' ' ' ARG . 3.9 p30 -169.63 13.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 1.0 109.383 -173.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 22.1 ttt -159.26 146.74 17.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 1.0 111.01 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 117.023 -1.465 . . . . 1.0 110.992 168.266 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.547 ' N ' HD22 ' A' ' 153' ' ' ASN . 3.8 m . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.445 0.164 . . . . 1.0 111.005 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.0 mtm105 -143.7 147.88 40.78 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 1.0 110.316 172.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 148.33 35.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.771 . . . . 1.0 111.045 169.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tp -134.4 31.02 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 1.0 109.299 164.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 32.0 mm 36.38 116.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 1.0 109.29 -127.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -143.02 48.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.607 1.192 . . . . 1.0 109.556 -175.06 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 140' ' ' HIS . 48.7 m-85 -31.33 125.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 1.0 110.918 170.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -130.14 53.19 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 1.0 111.016 -37.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.415 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -152.21 -11.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 1.0 109.342 -160.589 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.415 ' H ' ' H ' ' A' ' 143' ' ' ASN . 19.0 t0 62.04 68.3 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 109.263 171.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.408 ' CD2' ' HG3' ' A' ' 146' ' ' GLU . 1.1 p90 -66.35 -15.07 62.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 1.0 110.986 171.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.408 ' HG3' ' CD2' ' A' ' 145' ' ' TYR . 22.6 mt-10 -86.74 -1.59 57.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 1.0 110.276 -171.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.63 -30.13 71.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -165.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ARG . . . . . 0.416 ' H ' ' HD2' ' A' ' 148' ' ' ARG . 0.0 OUTLIER -60.42 -19.48 56.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 110.294 -176.871 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -111.97 -28.89 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 1.0 110.954 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -96.52 29.04 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 1.0 111.003 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -102.3 56.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 110.344 169.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.67 32.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 110.292 162.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.547 HD22 ' N ' ' A' ' 135' ' ' SER . 0.9 OUTLIER -163.95 8.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.0 109.322 -165.343 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 53.9 ttm -156.89 137.21 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 111.071 -168.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 116.955 -1.498 . . . . 1.0 110.976 174.595 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.535 0.207 . . . . 1.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -62.6 147.43 92.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 110.276 165.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 132.91 15.8 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.518 1.799 . . . . 1.0 110.975 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tp -114.01 16.94 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.344 173.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 32.7 mm 26.15 112.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.323 -123.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.59 56.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.0 109.631 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -24.18 126.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 110.955 154.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.45 57.74 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 1.0 110.987 -32.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.24 -21.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 1.0 109.234 -163.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.6 t0 58.05 55.51 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 165.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -74.15 -7.63 53.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.0 110.983 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -82.44 3.89 26.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 -170.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -67.03 -35.54 80.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.29 -175.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -71.97 -11.08 60.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 1.0 110.216 -166.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -97.01 -24.49 15.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 110.958 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -127.98 58.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 1.0 111.041 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -92.31 47.41 1.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 1.0 110.294 -160.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -87.03 40.8 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 110.329 -176.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -154.13 -41.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 1.0 109.282 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 18.5 mmt -136.55 129.44 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 1.0 110.915 -176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.019 -1.467 . . . . 1.0 110.955 -173.854 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.487 ' N ' HD22 ' A' ' 153' ' ' ASN . 19.6 p . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.549 0.214 . . . . 1.0 111.034 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -47.23 144.31 4.38 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 1.0 110.345 168.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 153.13 41.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.802 . . . . 1.0 111.018 172.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.01 21.12 6.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.215 170.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 11.8 mm 19.68 118.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 1.0 109.274 -111.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.73 50.96 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.531 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -27.12 126.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 111.005 158.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -140.78 55.93 0.61 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.492 1.12 . . . . 1.0 111.041 -30.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -147.81 -4.73 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 0.728 . . . . 1.0 109.256 -164.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.0 t70 58.23 54.04 6.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 167.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -9.91 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 110.978 -175.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -79.41 5.11 13.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 110.33 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.11 -35.66 26.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 1.0 109.34 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -69.07 -14.67 63.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 1.0 110.288 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -122.3 -48.56 2.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 1.0 111.041 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -121.78 49.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 110.992 -161.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.496 ' C ' ' H ' ' A' ' 153' ' ' ASN . 5.5 ptp180 -83.32 53.42 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 110.314 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.45 38.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.329 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' A' ' 151' ' ' ARG . 10.2 p30 -152.2 9.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 1.0 109.274 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 28.4 ttt -160.44 135.1 7.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 1.0 111.02 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.04 -1.457 . . . . 1.0 110.992 169.714 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.501 0.191 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -57.83 153.33 32.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 110.246 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 121.54 6.64 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.495 1.787 . . . . 1.0 110.961 172.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 81.7 mt -140.87 34.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.332 -168.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.6 mm -13.58 104.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.234 -117.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.85 58.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 1.0 109.588 -173.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -36.51 125.3 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 1.0 111.022 172.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -141.9 56.41 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.572 1.17 . . . . 1.0 111.074 -31.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.56 -9.51 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 1.0 109.335 -162.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.5 t70 59.13 56.1 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 173.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -2.63 35.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 110.98 -172.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.25 16.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 1.0 110.265 170.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -48.59 -38.17 20.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -68.69 -12.62 61.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.5 1.125 . . . . 1.0 110.289 -168.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -119.91 -43.48 2.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 1.0 110.991 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.66 59.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 1.0 111.021 -171.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' ' 153' ' ' ASN . 6.1 ptp180 -82.42 52.13 1.98 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.544 1.153 . . . . 1.0 110.312 170.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -75.39 33.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 110.258 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.504 ' H ' ' C ' ' A' ' 151' ' ' ARG . 27.4 m120 -143.97 -4.66 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 1.0 109.345 -176.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.4 ttp -159.09 129.86 6.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 1.0 111.038 -172.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 116.984 -1.484 . . . . 1.0 111.026 178.657 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.71 ' N ' HD22 ' A' ' 153' ' ' ASN . 43.2 t . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.428 0.156 . . . . 1.0 111.061 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -154.3 125.23 3.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 110.305 -175.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.87 10.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 1.0 110.995 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.33 23.66 6.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.442 1.089 . . . . 1.0 109.255 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 26.5 mm 27.83 113.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 1.0 109.3 -119.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.52 53.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 1.0 109.609 -171.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -32.87 125.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 1.0 111.051 169.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.04 52.33 0.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 1.0 111.016 -38.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.409 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -148.85 -12.54 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 1.0 109.317 -158.556 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.409 ' H ' ' H ' ' A' ' 143' ' ' ASN . 18.2 t0 57.09 54.75 6.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 1.0 109.343 175.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -73.58 -4.98 37.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 1.0 110.968 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -84.13 5.93 24.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 1.0 110.325 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -51.96 -37.74 54.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.329 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -77.78 -13.01 60.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 1.0 110.265 -165.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -95.76 -20.33 18.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 110.984 176.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -136.63 66.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 110.962 -170.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' A' ' 153' ' ' ASN . 3.4 ptm180 -92.98 54.68 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 110.318 -164.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -79.46 36.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 1.0 110.262 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.71 HD22 ' N ' ' A' ' 135' ' ' SER . 1.8 p30 -159.56 41.21 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 1.0 109.288 -176.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 15.6 ttt -150.39 153.7 36.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 1.0 111.013 -174.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 61.7 t80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.028 -1.463 . . . . 1.0 110.995 161.681 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.596 0.236 . . . . 1.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.468 ' HE ' ' CD ' ' A' ' 152' ' ' GLU . 74.2 mtt180 -54.57 147.85 28.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 1.0 110.291 168.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.04 3.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 1.0 110.97 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.19 12.31 30.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.16 . . . . 1.0 109.247 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.2 mm 28.93 118.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.33 -122.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.01 54.07 1.98 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 1.0 109.656 -173.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -30.87 124.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 111.013 163.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -137.85 55.04 0.69 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 1.0 110.962 -34.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.83 -6.71 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 1.0 109.344 -160.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.8 t70 58.36 52.55 7.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.242 171.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -99.39 -12.78 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 1.0 111.048 -165.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.3 OUTLIER -81.43 2.11 30.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 110.325 172.819 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.57 -29.82 69.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.317 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -12.54 47.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.0 110.358 -177.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.05 -33.2 6.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 1.0 110.978 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -133.4 63.69 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 111.0 -172.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -94.78 53.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 110.33 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.468 ' CD ' ' HE ' ' A' ' 136' ' ' ARG . 0.7 OUTLIER -83.32 37.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 1.0 110.301 170.257 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.02 34.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 1.0 109.292 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 44.1 ttm -153.51 154.39 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 1.0 110.99 -169.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.065 -1.445 . . . . 1.0 111.0 167.898 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.873 ' N ' HD22 ' A' ' 153' ' ' ASN . 35.5 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.49 0.186 . . . . 1.0 111.003 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -50.39 153.21 2.71 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 1.0 110.34 163.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 132.62 15.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 1.0 110.996 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 59.7 mt -115.63 19.31 15.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 1.0 109.335 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 25.5 mm 21.54 111.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.367 -118.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.02 60.58 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.61 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -33.13 125.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 1.0 111.014 166.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.63 52.62 0.73 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.572 1.17 . . . . 1.0 111.018 -35.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.83 3.17 0.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.523 0.778 . . . . 1.0 109.243 -162.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.0 t0 57.21 49.82 12.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 1.0 109.282 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.408 ' C ' ' H ' ' A' ' 147' ' ' ASP . 28.7 p90 -81.0 -2.54 48.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 1.0 110.955 -164.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.18 19.97 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 1.0 110.354 171.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 145' ' ' TYR . 0.7 OUTLIER -47.9 -38.78 17.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 1.0 109.278 174.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -64.11 -15.18 59.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.108 . . . . 1.0 110.338 -170.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -121.54 -45.64 2.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 110.989 -174.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -132.4 61.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 1.0 110.972 -170.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.467 ' C ' ' H ' ' A' ' 153' ' ' ASN . 1.1 ptp180 -80.27 51.83 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.611 1.194 . . . . 1.0 110.283 171.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -78.0 33.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.308 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.873 HD22 ' N ' ' A' ' 135' ' ' SER . 4.2 p30 -175.7 26.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 1.0 109.262 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 7.9 mtt -152.2 170.29 20.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 1.0 111.023 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.938 -1.506 . . . . 1.0 111.05 -163.778 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.527 0.203 . . . . 1.0 111.084 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -142.81 101.1 5.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 1.0 110.333 -161.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 153.97 42.71 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.551 1.816 . . . . 1.0 110.991 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.5 tp -153.64 24.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 1.0 109.331 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.1 mm 36.91 116.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 -126.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.3 OUTLIER -154.62 45.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 1.0 109.629 -169.833 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 140' ' ' HIS . 58.8 m-85 -33.52 125.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 110.972 173.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -152.69 55.72 0.44 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 1.0 110.964 -31.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.27 3.37 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 109.276 -166.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 17.1 t70 61.14 57.42 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.278 167.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -120.08 -16.48 8.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 1.0 111.053 -169.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -88.33 -0.05 56.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 1.0 110.314 169.49 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.76 -43.68 75.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 109.266 -170.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -66.12 -17.28 64.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 1.0 110.278 -156.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.25 -39.73 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 110.989 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -124.68 40.65 3.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 111.032 -163.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.41 ' H ' ' HG3' ' A' ' 151' ' ' ARG . 0.0 OUTLIER -89.31 39.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 110.338 -160.882 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -90.28 46.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 110.326 -169.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -137.99 23.95 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 1.0 109.355 167.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 25.2 ttp -144.32 161.03 40.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 1.0 111.056 -169.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 116.98 -1.486 . . . . 1.0 110.996 165.007 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.495 0.188 . . . . 1.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.463 HH22 ' HB2' ' A' ' 152' ' ' GLU . 26.6 ttm180 -138.94 129.1 14.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.332 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 110.22 3.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 1.0 111.058 173.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 46.3 mt -123.9 22.89 8.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 1.0 109.298 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 19.1 mm 37.81 128.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 -119.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.97 32.05 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 109.595 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -28.86 126.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 111.039 158.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -142.42 53.59 0.62 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 1.0 111.02 -33.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -146.87 2.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 0.807 . . . . 1.0 109.326 -164.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 23.5 t70 63.68 61.16 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.323 158.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.403 ' CD2' ' HG3' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -103.27 -28.72 11.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 1.0 110.978 -171.667 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -72.06 -14.53 61.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 110.368 -176.814 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.03 -33.01 74.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 1.0 109.323 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -65.78 -16.04 63.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 1.0 110.34 -171.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -118.59 -54.17 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 1.0 110.977 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -110.83 49.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 1.0 110.989 -159.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -91.02 43.22 1.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.463 ' HB2' HH22 ' A' ' 136' ' ' ARG . 5.0 mp0 -85.53 41.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 110.263 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -166.21 24.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 14.0 ttp -156.15 22.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 1.0 110.988 -170.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.0 -1.476 . . . . 1.0 110.983 -171.842 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.478 0.18 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -139.13 157.3 71.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 110.274 161.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 110.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 1.0 111.003 163.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 76.1 mt -136.07 9.46 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.1 mm 31.18 110.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 1.0 109.293 -133.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.51 64.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 1.0 109.597 -174.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -33.79 125.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 1.0 111.038 170.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -136.74 55.93 0.69 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 1.0 111.013 -33.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.61 -16.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 1.0 109.288 -162.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 146' ' ' GLU . 22.4 t0 56.79 60.12 3.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 109.326 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.27 9.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 1.0 110.969 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 144' ' ' ASP . 34.5 mt-10 -92.06 13.25 19.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 1.0 110.366 -164.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -58.21 -50.1 74.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 1.0 109.302 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -76.56 -15.19 59.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 110.309 -165.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -94.17 -48.43 6.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.478 1.111 . . . . 1.0 111.029 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -118.83 61.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 -167.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.05 50.77 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 1.0 110.336 -168.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -85.26 37.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 110.298 166.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -147.19 24.23 1.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.591 1.182 . . . . 1.0 109.269 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 39.4 ttm -154.18 158.65 40.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 1.0 110.974 -173.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.005 -1.474 . . . . 1.0 111.061 168.049 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.853 ' N ' HD22 ' A' ' 153' ' ' ASN . 4.5 t . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.512 0.196 . . . . 1.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 137' ' ' PRO . 95.5 mtt180 -144.96 135.28 11.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 110.265 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.98 146.19 32.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 1.0 110.983 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 12.3 tp -153.89 35.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 12.3 mm -18.15 110.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.301 -108.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -125.26 67.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.626 1.204 . . . . 1.0 109.657 -177.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -35.66 128.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 1.0 111.014 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -150.63 58.65 0.44 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.457 1.098 . . . . 1.0 110.991 -26.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.15 -22.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 1.0 109.328 -166.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.475 ' OD1' ' HA ' ' A' ' 135' ' ' SER . 2.2 t0 57.75 52.97 7.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 1.0 109.321 163.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -73.55 -11.79 60.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 110.973 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.73 -0.32 26.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 1.0 110.287 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -53.02 -36.27 60.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 1.0 109.262 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -69.46 -13.38 62.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 1.0 110.271 -168.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -100.73 -17.62 16.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 111.004 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -136.94 62.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 1.0 110.96 -176.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 153' ' ' ASN . 11.9 ptp180 -98.48 50.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 1.0 110.255 -158.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -78.05 36.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 1.0 110.292 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.853 HD22 ' N ' ' A' ' 135' ' ' SER . 6.1 p30 -166.79 13.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 1.0 109.332 -176.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.7 tpp -165.84 149.92 8.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.383 1.052 . . . . 1.0 110.991 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.03 -1.462 . . . . 1.0 110.996 174.615 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.501 0.191 . . . . 1.0 111.037 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.475 ' NH1' ' H ' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -66.48 132.1 94.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 1.0 110.268 -173.726 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 1.0 110.94 158.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 71.6 mt -137.22 14.61 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 109.306 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 19.9 mm 39.31 125.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 1.0 109.351 -127.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -133.79 48.58 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 1.0 109.615 -174.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -28.36 124.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 1.0 110.96 161.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -131.45 51.73 0.85 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 1.0 110.951 -36.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.415 ' H ' ' H ' ' A' ' 144' ' ' ASP . 2.3 p-10 -173.36 -13.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 1.0 109.307 -153.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.415 ' H ' ' H ' ' A' ' 143' ' ' ASN . 7.1 t70 64.77 59.62 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 1.0 109.274 172.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -68.79 -11.41 60.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 110.939 -172.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -72.43 -4.83 32.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 110.281 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -54.31 -33.48 58.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 1.0 109.325 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -69.64 -11.46 60.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 1.0 110.296 -169.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -117.93 -16.9 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 111.077 173.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -141.58 78.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.0 111.023 -173.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -78.35 52.54 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 1.0 110.371 -175.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.63 40.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 1.0 110.279 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -136.5 14.31 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 63.6 mtt -141.45 156.82 45.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.996 -167.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.975 -1.488 . . . . 1.0 111.027 166.734 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.463 0.173 . . . . 1.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -163.73 115.59 1.02 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.553 1.158 . . . . 1.0 110.307 -171.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.38 40.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.466 1.772 . . . . 1.0 110.995 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.7 tp -157.25 33.4 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 1.0 109.334 -172.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 10.3 mm -22.55 115.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 1.0 109.312 -100.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' HIS . . . . . 0.501 ' O ' ' CG ' ' A' ' 140' ' ' HIS . 5.2 p80 -136.16 79.92 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 1.0 109.677 176.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -43.51 137.47 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 1.0 110.987 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.86 57.36 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 1.0 111.025 -20.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.87 -22.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.759 . . . . 1.0 109.306 -169.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.4 t0 69.38 46.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.273 144.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.476 ' C ' ' H ' ' A' ' 147' ' ' ASP . 39.7 p90 -110.07 -5.81 15.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.596 1.185 . . . . 1.0 110.985 173.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.58 20.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 1.0 110.249 171.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 145' ' ' TYR . 26.1 t70 -50.49 -37.86 40.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 1.0 109.348 -176.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.46 -13.53 61.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 1.0 110.36 -167.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -96.14 -23.14 16.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 111.008 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -117.92 23.66 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.182 . . . . 1.0 110.981 -170.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.458 ' H ' ' HG3' ' A' ' 151' ' ' ARG . 0.0 OUTLIER -92.71 37.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 110.274 -171.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -86.69 40.47 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 1.0 110.238 -164.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -152.65 -0.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.254 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' MET . . . . . 0.417 ' HG2' ' H ' ' A' ' 155' ' ' TYR . 2.8 ttt -165.93 -169.18 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 1.0 111.01 -170.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.417 ' H ' ' HG2' ' A' ' 154' ' ' MET . 38.1 m-85 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 116.919 -1.515 . . . . 1.0 111.033 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.493 ' N ' HD22 ' A' ' 153' ' ' ASN . 21.9 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.582 0.23 . . . . 1.0 111.002 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -113.09 93.38 25.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 1.0 110.361 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 111.91 3.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 1.0 111.03 -174.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 70.5 mt -134.6 27.84 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 1.0 109.228 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 20.2 mm 39.84 125.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 1.0 109.289 -124.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' HIS . . . . . 0.451 ' O ' ' CG ' ' A' ' 140' ' ' HIS . 0.4 OUTLIER -149.86 60.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.616 -171.776 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -37.91 131.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 110.978 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.44 59.89 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 1.0 110.994 -29.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.431 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.4 OUTLIER -158.67 -6.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 1.0 109.271 -169.254 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.431 ' H ' ' H ' ' A' ' 143' ' ' ASN . 29.0 t0 55.22 58.86 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 109.29 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -80.4 28.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 1.0 111.034 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -115.77 10.02 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.255 -156.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -51.75 -38.21 54.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 1.0 109.333 -173.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 63.1 mtm-85 -69.31 -12.95 62.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 1.0 110.334 -167.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -121.9 -48.97 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 1.0 110.941 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -139.07 77.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 1.0 111.014 -169.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 153' ' ' ASN . 8.7 ptp180 -89.64 52.88 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.425 1.078 . . . . 1.0 110.347 165.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.18 35.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 110.28 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 151' ' ' ARG . 6.7 p30 -157.82 15.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.4 ttp -160.49 144.38 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.068 . . . . 1.0 111.099 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.016 -1.468 . . . . 1.0 110.979 171.313 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.465 0.174 . . . . 1.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -152.55 130.9 6.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 1.0 110.291 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 121.3 6.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 1.0 110.994 164.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.04 14.17 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 1.0 109.302 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.9 mm 41.15 124.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -128.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.09 44.63 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 1.0 109.636 -168.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -33.25 124.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 1.0 111.013 162.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.99 53.94 0.79 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.569 1.168 . . . . 1.0 111.062 -37.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.416 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -153.64 -15.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 1.0 109.223 -159.537 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.416 ' H ' ' H ' ' A' ' 143' ' ' ASN . 36.2 t0 63.33 54.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 162.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.426 ' C ' ' H ' ' A' ' 147' ' ' ASP . 15.3 p90 -132.83 -2.38 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 1.0 110.931 -169.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -78.71 15.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.0 110.309 -174.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 145' ' ' TYR . 78.5 m-20 -53.77 -44.76 70.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -72.44 -12.89 61.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 1.0 110.318 -165.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -93.53 -30.73 14.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 1.0 111.057 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -137.99 62.26 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 110.991 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.26 38.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 1.0 110.32 -158.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -92.4 47.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 1.0 110.293 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -161.52 21.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 1.0 109.305 165.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 2.8 ttt -158.17 -175.98 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 111.0 -161.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.036 -1.459 . . . . 1.0 111.035 164.832 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.555 0.217 . . . . 1.0 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -142.11 131.33 12.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 1.0 110.361 -165.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.57 2.75 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 1.0 110.986 165.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.89 19.61 11.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.344 -175.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.6 mm 30.96 119.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 1.0 109.361 -117.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.7 39.4 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 1.0 109.618 -170.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -30.9 125.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 1.0 111.005 159.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.46 53.3 0.8 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 1.0 111.031 -38.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASN . . . . . 0.408 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -150.0 -12.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 1.0 109.269 -158.246 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASP . . . . . 0.408 ' H ' ' H ' ' A' ' 143' ' ' ASN . 22.4 t70 55.79 53.38 9.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 1.0 109.29 177.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -92.23 -12.99 31.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.0 110.993 -175.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.71 -7.29 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.283 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.98 -33.94 58.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 1.0 109.342 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -62.12 -15.9 48.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 1.0 110.26 -173.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -115.11 -18.47 11.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 111.007 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -128.22 64.3 1.4 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 1.0 110.997 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 153' ' ' ASN . 14.5 ptp180 -92.06 51.47 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 1.0 110.27 -172.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -76.44 37.66 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 1.0 110.321 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p-10 -171.15 21.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 1.0 109.256 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 35.4 ttp -158.52 154.12 26.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 1.0 111.019 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 116.983 -1.484 . . . . 1.0 110.969 171.475 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.415 0.15 . . . . 1.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -133.18 165.34 37.42 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.587 1.18 . . . . 1.0 110.288 169.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 112.89 3.67 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.445 1.761 . . . . 1.0 110.961 169.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.0 tp -141.57 8.37 1.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 1.0 109.338 172.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.9 mm 23.03 105.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 1.0 109.329 -130.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -106.04 59.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 109.563 -169.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -35.38 129.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 1.0 110.952 166.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -137.64 70.94 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 1.0 110.982 -34.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -172.18 -18.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 1.0 109.311 -161.389 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.1 t0 61.41 65.28 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.552 1.158 . . . . 1.0 109.3 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -60.85 -13.63 16.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 1.0 111.029 168.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -77.65 -3.98 43.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 110.312 -173.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.7 -35.81 81.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 1.0 109.368 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -72.49 -16.11 61.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 1.0 110.298 -172.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 149' ' ' TYR . 2.8 m-85 -105.42 -53.87 2.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.493 1.12 . . . . 1.0 110.981 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -142.99 82.24 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.956 -165.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.473 ' C ' ' H ' ' A' ' 153' ' ' ASN . 8.9 ptp180 -87.6 53.38 2.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 1.0 110.369 162.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -77.1 37.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 110.331 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p30 -168.14 16.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 1.0 109.306 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 49.5 ttp -155.84 143.08 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 1.0 110.973 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 116.989 -1.481 . . . . 1.0 110.952 174.035 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 150' ' ' TYR . 12.0 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.455 0.169 . . . . 1.0 110.991 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.91 152.32 29.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.615 1.197 . . . . 1.0 110.274 -171.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 146.46 32.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.772 . . . . 1.0 110.933 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.5 mt -148.66 33.32 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 1.0 109.33 -166.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 mm -22.47 114.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 -103.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.23 65.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.618 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -34.68 127.36 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 110.948 171.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -144.74 55.65 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 1.0 110.961 -28.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -146.31 -3.11 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.724 . . . . 1.0 109.254 -166.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.36 49.59 16.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 1.0 109.314 173.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -8.52 54.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 111.012 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.74 11.56 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.13 -37.62 15.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 1.0 109.24 166.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -61.75 -14.88 36.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 1.0 110.264 -171.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -120.08 -52.66 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.984 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.413 ' HB3' ' HA ' ' A' ' 135' ' ' SER . 12.7 m-30 -97.17 34.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 1.0 111.076 -167.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 153' ' ' ASN . 1.3 ptp180 -81.44 49.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 110.289 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.1 31.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.307 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.485 ' H ' ' C ' ' A' ' 151' ' ' ARG . 10.0 p-10 -175.6 17.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 1.0 109.23 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 72.6 mtm -144.29 174.7 10.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 111.003 -173.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 116.951 -1.5 . . . . 1.0 111.053 -163.391 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.522 0.201 . . . . 1.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.429 HH22 ' HB2' ' A' ' 152' ' ' GLU . 40.9 ttm180 -154.94 123.37 2.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.345 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 131.48 14.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 1.0 110.903 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.0 mt -121.84 25.04 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 1.0 109.314 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 25.9 mm 34.45 114.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.308 -128.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -145.59 51.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 1.0 109.63 -169.865 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 140' ' ' HIS . 2.8 m-85 -34.32 122.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 1.0 110.937 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -141.56 53.23 0.65 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 1.0 111.017 -35.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.27 5.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 0.754 . . . . 1.0 109.285 -162.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 25.5 t0 58.14 56.3 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.27 161.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.87 -12.05 45.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 1.0 111.034 -175.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.82 0.88 22.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 1.0 110.279 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.96 -25.6 68.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.415 1.072 . . . . 1.0 109.302 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -13.7 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 1.0 110.313 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -123.75 -54.85 1.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.992 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -96.05 56.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 1.0 110.977 -161.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -106.65 48.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 1.0 110.312 151.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.429 ' HB2' HH22 ' A' ' 136' ' ' ARG . 2.7 mt-10 -87.14 35.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 1.0 110.332 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -168.49 17.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 1.0 109.312 -172.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 16.0 ptm -164.7 173.93 11.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 110.967 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.013 -1.47 . . . . 1.0 110.995 168.588 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.455 0.169 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -135.18 133.39 20.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 110.243 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 134.64 18.13 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 1.0 110.962 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 64.2 mt -141.26 28.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 -165.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 9.4 mm -12.74 110.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.282 -111.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.07 64.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 109.62 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -35.56 126.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.978 167.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -143.07 61.9 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 1.0 110.994 -28.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.65 -19.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 1.0 109.312 -162.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.58 48.55 9.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.297 159.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -101.13 -7.38 23.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 1.0 110.961 -168.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.48 7.44 14.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 1.0 110.312 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.52 -40.92 62.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 1.0 109.347 -168.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -69.31 -13.77 62.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.387 1.054 . . . . 1.0 110.263 -167.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -107.44 -11.91 15.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 1.0 110.996 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -128.39 41.79 3.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 1.0 111.063 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.458 ' C ' ' H ' ' A' ' 153' ' ' ASN . 10.8 ptt180 -92.84 51.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.328 -177.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -77.39 33.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 1.0 110.287 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 151' ' ' ARG . 3.9 p30 -169.63 13.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 1.0 109.383 -173.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 22.1 ttt -159.26 146.74 17.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 1.0 111.01 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 117.023 -1.465 . . . . 1.0 110.992 168.266 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.547 ' N ' HD22 ' A' ' 153' ' ' ASN . 3.8 m . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.445 0.164 . . . . 1.0 111.005 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.0 mtm105 -143.7 147.88 40.78 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 1.0 110.316 172.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 148.33 35.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.771 . . . . 1.0 111.045 169.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tp -134.4 31.02 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 1.0 109.299 164.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 32.0 mm 36.38 116.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 1.0 109.29 -127.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -143.02 48.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.607 1.192 . . . . 1.0 109.556 -175.06 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 140' ' ' HIS . 48.7 m-85 -31.33 125.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 1.0 110.918 170.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -130.14 53.19 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 1.0 111.016 -37.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.415 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -152.21 -11.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 1.0 109.342 -160.589 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.415 ' H ' ' H ' ' A' ' 143' ' ' ASN . 19.0 t0 62.04 68.3 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 109.263 171.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.408 ' CD2' ' HG3' ' A' ' 146' ' ' GLU . 1.1 p90 -66.35 -15.07 62.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 1.0 110.986 171.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.408 ' HG3' ' CD2' ' A' ' 145' ' ' TYR . 22.6 mt-10 -86.74 -1.59 57.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 1.0 110.276 -171.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.63 -30.13 71.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -165.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ARG . . . . . 0.416 ' H ' ' HD2' ' A' ' 148' ' ' ARG . 0.0 OUTLIER -60.42 -19.48 56.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 110.294 -176.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -111.97 -28.89 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 1.0 110.954 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -96.52 29.04 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 1.0 111.003 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -102.3 56.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 110.344 169.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.67 32.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 110.292 162.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.547 HD22 ' N ' ' A' ' 135' ' ' SER . 0.9 OUTLIER -163.95 8.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.0 109.322 -165.343 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 53.9 ttm -156.89 137.21 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 111.071 -168.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 116.955 -1.498 . . . . 1.0 110.976 174.595 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.535 0.207 . . . . 1.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -62.6 147.43 92.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 110.276 165.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 132.91 15.8 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.518 1.799 . . . . 1.0 110.975 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tp -114.01 16.94 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.344 173.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 32.7 mm 26.15 112.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.323 -123.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.59 56.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.0 109.631 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -24.18 126.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 110.955 154.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.45 57.74 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 1.0 110.987 -32.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.24 -21.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 1.0 109.234 -163.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.6 t0 58.05 55.51 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 165.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -74.15 -7.63 53.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.0 110.983 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -82.44 3.89 26.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 -170.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -67.03 -35.54 80.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.29 -175.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -71.97 -11.08 60.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 1.0 110.216 -166.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -97.01 -24.49 15.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 110.958 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -127.98 58.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 1.0 111.041 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -92.31 47.41 1.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 1.0 110.294 -160.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -87.03 40.8 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 110.329 -176.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -154.13 -41.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 1.0 109.282 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 18.5 mmt -136.55 129.44 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 1.0 110.915 -176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.019 -1.467 . . . . 1.0 110.955 -173.854 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.487 ' N ' HD22 ' A' ' 153' ' ' ASN . 19.6 p . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.549 0.214 . . . . 1.0 111.034 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -47.23 144.31 4.38 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 1.0 110.345 168.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 153.13 41.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.802 . . . . 1.0 111.018 172.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.01 21.12 6.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.215 170.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 11.8 mm 19.68 118.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 1.0 109.274 -111.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.73 50.96 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.531 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -27.12 126.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 111.005 158.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -140.78 55.93 0.61 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.492 1.12 . . . . 1.0 111.041 -30.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -147.81 -4.73 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 0.728 . . . . 1.0 109.256 -164.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.0 t70 58.23 54.04 6.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 167.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -9.91 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 110.978 -175.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -79.41 5.11 13.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 110.33 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.11 -35.66 26.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 1.0 109.34 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -69.07 -14.67 63.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 1.0 110.288 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -122.3 -48.56 2.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 1.0 111.041 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -121.78 49.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 110.992 -161.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.496 ' C ' ' H ' ' A' ' 153' ' ' ASN . 5.5 ptp180 -83.32 53.42 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 110.314 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.45 38.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.329 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' A' ' 151' ' ' ARG . 10.2 p30 -152.2 9.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 1.0 109.274 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 28.4 ttt -160.44 135.1 7.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 1.0 111.02 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.04 -1.457 . . . . 1.0 110.992 169.714 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.501 0.191 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -57.83 153.33 32.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 110.246 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 121.54 6.64 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.495 1.787 . . . . 1.0 110.961 172.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 81.7 mt -140.87 34.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.332 -168.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.6 mm -13.58 104.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.234 -117.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.85 58.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 1.0 109.588 -173.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -36.51 125.3 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 1.0 111.022 172.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -141.9 56.41 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.572 1.17 . . . . 1.0 111.074 -31.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.56 -9.51 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 1.0 109.335 -162.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.5 t70 59.13 56.1 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 173.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -2.63 35.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 110.98 -172.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.25 16.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 1.0 110.265 170.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -48.59 -38.17 20.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -68.69 -12.62 61.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.5 1.125 . . . . 1.0 110.289 -168.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -119.91 -43.48 2.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 1.0 110.991 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.66 59.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 1.0 111.021 -171.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' ' 153' ' ' ASN . 6.1 ptp180 -82.42 52.13 1.98 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.544 1.153 . . . . 1.0 110.312 170.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -75.39 33.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 110.258 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.504 ' H ' ' C ' ' A' ' 151' ' ' ARG . 27.4 m120 -143.97 -4.66 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 1.0 109.345 -176.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.4 ttp -159.09 129.86 6.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 1.0 111.038 -172.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 116.984 -1.484 . . . . 1.0 111.026 178.657 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.71 ' N ' HD22 ' A' ' 153' ' ' ASN . 43.2 t . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.428 0.156 . . . . 1.0 111.061 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -154.3 125.23 3.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 110.305 -175.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.87 10.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 1.0 110.995 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.33 23.66 6.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.442 1.089 . . . . 1.0 109.255 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 26.5 mm 27.83 113.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 1.0 109.3 -119.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.52 53.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 1.0 109.609 -171.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -32.87 125.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 1.0 111.051 169.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.04 52.33 0.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 1.0 111.016 -38.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.409 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -148.85 -12.54 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 1.0 109.317 -158.556 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.409 ' H ' ' H ' ' A' ' 143' ' ' ASN . 18.2 t0 57.09 54.75 6.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 1.0 109.343 175.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -73.58 -4.98 37.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 1.0 110.968 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -84.13 5.93 24.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 1.0 110.325 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -51.96 -37.74 54.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.329 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -77.78 -13.01 60.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 1.0 110.265 -165.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -95.76 -20.33 18.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 110.984 176.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -136.63 66.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 110.962 -170.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' A' ' 153' ' ' ASN . 3.4 ptm180 -92.98 54.68 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 110.318 -164.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -79.46 36.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 1.0 110.262 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.71 HD22 ' N ' ' A' ' 135' ' ' SER . 1.8 p30 -159.56 41.21 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 1.0 109.288 -176.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 15.6 ttt -150.39 153.7 36.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 1.0 111.013 -174.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 61.7 t80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.028 -1.463 . . . . 1.0 110.995 161.681 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.596 0.236 . . . . 1.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.468 ' HE ' ' CD ' ' A' ' 152' ' ' GLU . 74.2 mtt180 -54.57 147.85 28.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 1.0 110.291 168.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.04 3.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 1.0 110.97 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.19 12.31 30.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.16 . . . . 1.0 109.247 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.2 mm 28.93 118.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.33 -122.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.01 54.07 1.98 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 1.0 109.656 -173.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -30.87 124.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 111.013 163.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -137.85 55.04 0.69 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 1.0 110.962 -34.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.83 -6.71 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 1.0 109.344 -160.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.8 t70 58.36 52.55 7.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.242 171.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -99.39 -12.78 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 1.0 111.048 -165.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.3 OUTLIER -81.43 2.11 30.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 110.325 172.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.57 -29.82 69.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.317 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -12.54 47.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.0 110.358 -177.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.05 -33.2 6.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 1.0 110.978 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -133.4 63.69 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 111.0 -172.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -94.78 53.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 110.33 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.468 ' CD ' ' HE ' ' A' ' 136' ' ' ARG . 0.7 OUTLIER -83.32 37.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 1.0 110.301 170.257 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.02 34.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 1.0 109.292 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 44.1 ttm -153.51 154.39 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 1.0 110.99 -169.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.065 -1.445 . . . . 1.0 111.0 167.898 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.873 ' N ' HD22 ' A' ' 153' ' ' ASN . 35.5 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.49 0.186 . . . . 1.0 111.003 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -50.39 153.21 2.71 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 1.0 110.34 163.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 132.62 15.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 1.0 110.996 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 59.7 mt -115.63 19.31 15.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 1.0 109.335 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 25.5 mm 21.54 111.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.367 -118.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.02 60.58 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.61 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -33.13 125.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 1.0 111.014 166.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.63 52.62 0.73 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.572 1.17 . . . . 1.0 111.018 -35.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.83 3.17 0.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.523 0.778 . . . . 1.0 109.243 -162.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.0 t0 57.21 49.82 12.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 1.0 109.282 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.408 ' C ' ' H ' ' A' ' 147' ' ' ASP . 28.7 p90 -81.0 -2.54 48.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 1.0 110.955 -164.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.18 19.97 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 1.0 110.354 171.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 145' ' ' TYR . 0.7 OUTLIER -47.9 -38.78 17.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 1.0 109.278 174.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -64.11 -15.18 59.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.108 . . . . 1.0 110.338 -170.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -121.54 -45.64 2.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 110.989 -174.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -132.4 61.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 1.0 110.972 -170.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.467 ' C ' ' H ' ' A' ' 153' ' ' ASN . 1.1 ptp180 -80.27 51.83 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.611 1.194 . . . . 1.0 110.283 171.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -78.0 33.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.308 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.873 HD22 ' N ' ' A' ' 135' ' ' SER . 4.2 p30 -175.7 26.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 1.0 109.262 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 7.9 mtt -152.2 170.29 20.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 1.0 111.023 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.938 -1.506 . . . . 1.0 111.05 -163.778 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.527 0.203 . . . . 1.0 111.084 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -142.81 101.1 5.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 1.0 110.333 -161.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 153.97 42.71 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.551 1.816 . . . . 1.0 110.991 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.5 tp -153.64 24.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 1.0 109.331 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.1 mm 36.91 116.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 -126.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.3 OUTLIER -154.62 45.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 1.0 109.629 -169.833 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 140' ' ' HIS . 58.8 m-85 -33.52 125.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 110.972 173.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -152.69 55.72 0.44 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 1.0 110.964 -31.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.27 3.37 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 109.276 -166.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 17.1 t70 61.14 57.42 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.278 167.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -120.08 -16.48 8.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 1.0 111.053 -169.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -88.33 -0.05 56.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 1.0 110.314 169.49 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.76 -43.68 75.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 109.266 -170.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -66.12 -17.28 64.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 1.0 110.278 -156.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.25 -39.73 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 110.989 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -124.68 40.65 3.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 111.032 -163.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.41 ' H ' ' HG3' ' A' ' 151' ' ' ARG . 0.0 OUTLIER -89.31 39.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 110.338 -160.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -90.28 46.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 110.326 -169.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -137.99 23.95 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 1.0 109.355 167.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 25.2 ttp -144.32 161.03 40.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 1.0 111.056 -169.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 116.98 -1.486 . . . . 1.0 110.996 165.007 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.495 0.188 . . . . 1.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.463 HH22 ' HB2' ' A' ' 152' ' ' GLU . 26.6 ttm180 -138.94 129.1 14.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.332 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 110.22 3.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 1.0 111.058 173.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 46.3 mt -123.9 22.89 8.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 1.0 109.298 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 19.1 mm 37.81 128.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 -119.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.97 32.05 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 109.595 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -28.86 126.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 111.039 158.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -142.42 53.59 0.62 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 1.0 111.02 -33.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -146.87 2.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 0.807 . . . . 1.0 109.326 -164.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 23.5 t70 63.68 61.16 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.323 158.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.403 ' CD2' ' HG3' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -103.27 -28.72 11.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 1.0 110.978 -171.667 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -72.06 -14.53 61.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 110.368 -176.814 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.03 -33.01 74.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 1.0 109.323 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -65.78 -16.04 63.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 1.0 110.34 -171.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -118.59 -54.17 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 1.0 110.977 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -110.83 49.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 1.0 110.989 -159.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -91.02 43.22 1.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.463 ' HB2' HH22 ' A' ' 136' ' ' ARG . 5.0 mp0 -85.53 41.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 110.263 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -166.21 24.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 14.0 ttp -156.15 22.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 1.0 110.988 -170.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.0 -1.476 . . . . 1.0 110.983 -171.842 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.478 0.18 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -139.13 157.3 71.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 110.274 161.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 110.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 1.0 111.003 163.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 76.1 mt -136.07 9.46 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.1 mm 31.18 110.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 1.0 109.293 -133.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.51 64.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 1.0 109.597 -174.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -33.79 125.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 1.0 111.038 170.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -136.74 55.93 0.69 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 1.0 111.013 -33.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.61 -16.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 1.0 109.288 -162.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 146' ' ' GLU . 22.4 t0 56.79 60.12 3.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 109.326 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.27 9.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 1.0 110.969 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 144' ' ' ASP . 34.5 mt-10 -92.06 13.25 19.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 1.0 110.366 -164.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -58.21 -50.1 74.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 1.0 109.302 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -76.56 -15.19 59.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 110.309 -165.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -94.17 -48.43 6.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.478 1.111 . . . . 1.0 111.029 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -118.83 61.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 -167.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.05 50.77 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 1.0 110.336 -168.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -85.26 37.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 110.298 166.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -147.19 24.23 1.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.591 1.182 . . . . 1.0 109.269 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 39.4 ttm -154.18 158.65 40.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 1.0 110.974 -173.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.005 -1.474 . . . . 1.0 111.061 168.049 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.853 ' N ' HD22 ' A' ' 153' ' ' ASN . 4.5 t . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.512 0.196 . . . . 1.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 137' ' ' PRO . 95.5 mtt180 -144.96 135.28 11.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 110.265 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.98 146.19 32.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 1.0 110.983 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 12.3 tp -153.89 35.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 12.3 mm -18.15 110.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.301 -108.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -125.26 67.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.626 1.204 . . . . 1.0 109.657 -177.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -35.66 128.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 1.0 111.014 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -150.63 58.65 0.44 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.457 1.098 . . . . 1.0 110.991 -26.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.15 -22.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 1.0 109.328 -166.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.475 ' OD1' ' HA ' ' A' ' 135' ' ' SER . 2.2 t0 57.75 52.97 7.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 1.0 109.321 163.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -73.55 -11.79 60.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 110.973 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.73 -0.32 26.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 1.0 110.287 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -53.02 -36.27 60.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 1.0 109.262 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -69.46 -13.38 62.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 1.0 110.271 -168.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -100.73 -17.62 16.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 111.004 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -136.94 62.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 1.0 110.96 -176.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 153' ' ' ASN . 11.9 ptp180 -98.48 50.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 1.0 110.255 -158.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -78.05 36.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 1.0 110.292 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.853 HD22 ' N ' ' A' ' 135' ' ' SER . 6.1 p30 -166.79 13.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 1.0 109.332 -176.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.7 tpp -165.84 149.92 8.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.383 1.052 . . . . 1.0 110.991 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.03 -1.462 . . . . 1.0 110.996 174.615 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.501 0.191 . . . . 1.0 111.037 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.475 ' NH1' ' H ' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -66.48 132.1 94.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 1.0 110.268 -173.726 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 1.0 110.94 158.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 71.6 mt -137.22 14.61 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 109.306 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 19.9 mm 39.31 125.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 1.0 109.351 -127.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -133.79 48.58 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 1.0 109.615 -174.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -28.36 124.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 1.0 110.96 161.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -131.45 51.73 0.85 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 1.0 110.951 -36.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.415 ' H ' ' H ' ' A' ' 144' ' ' ASP . 2.3 p-10 -173.36 -13.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 1.0 109.307 -153.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.415 ' H ' ' H ' ' A' ' 143' ' ' ASN . 7.1 t70 64.77 59.62 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 1.0 109.274 172.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -68.79 -11.41 60.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 110.939 -172.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -72.43 -4.83 32.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 110.281 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -54.31 -33.48 58.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 1.0 109.325 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -69.64 -11.46 60.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 1.0 110.296 -169.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -117.93 -16.9 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 111.077 173.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -141.58 78.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.0 111.023 -173.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -78.35 52.54 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 1.0 110.371 -175.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.63 40.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 1.0 110.279 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -136.5 14.31 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 63.6 mtt -141.45 156.82 45.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.996 -167.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.975 -1.488 . . . . 1.0 111.027 166.734 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.463 0.173 . . . . 1.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -163.73 115.59 1.02 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.553 1.158 . . . . 1.0 110.307 -171.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.38 40.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.466 1.772 . . . . 1.0 110.995 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.7 tp -157.25 33.4 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 1.0 109.334 -172.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 10.3 mm -22.55 115.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 1.0 109.312 -100.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.501 ' O ' ' CG ' ' A' ' 140' ' ' HIS . 5.2 p80 -136.16 79.92 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 1.0 109.677 176.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -43.51 137.47 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 1.0 110.987 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.86 57.36 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 1.0 111.025 -20.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.87 -22.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.759 . . . . 1.0 109.306 -169.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.4 t0 69.38 46.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.273 144.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.476 ' C ' ' H ' ' A' ' 147' ' ' ASP . 39.7 p90 -110.07 -5.81 15.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.596 1.185 . . . . 1.0 110.985 173.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.58 20.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 1.0 110.249 171.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 145' ' ' TYR . 26.1 t70 -50.49 -37.86 40.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 1.0 109.348 -176.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.46 -13.53 61.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 1.0 110.36 -167.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -96.14 -23.14 16.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 111.008 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -117.92 23.66 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.182 . . . . 1.0 110.981 -170.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.458 ' H ' ' HG3' ' A' ' 151' ' ' ARG . 0.0 OUTLIER -92.71 37.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 110.274 -171.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -86.69 40.47 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 1.0 110.238 -164.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -152.65 -0.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.254 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.417 ' HG2' ' H ' ' A' ' 155' ' ' TYR . 2.8 ttt -165.93 -169.18 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 1.0 111.01 -170.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.417 ' H ' ' HG2' ' A' ' 154' ' ' MET . 38.1 m-85 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 116.919 -1.515 . . . . 1.0 111.033 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.493 ' N ' HD22 ' A' ' 153' ' ' ASN . 21.9 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.582 0.23 . . . . 1.0 111.002 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -113.09 93.38 25.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 1.0 110.361 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 111.91 3.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 1.0 111.03 -174.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 70.5 mt -134.6 27.84 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 1.0 109.228 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 20.2 mm 39.84 125.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 1.0 109.289 -124.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.451 ' O ' ' CG ' ' A' ' 140' ' ' HIS . 0.4 OUTLIER -149.86 60.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.616 -171.776 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -37.91 131.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 110.978 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.44 59.89 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 1.0 110.994 -29.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.431 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.4 OUTLIER -158.67 -6.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 1.0 109.271 -169.254 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.431 ' H ' ' H ' ' A' ' 143' ' ' ASN . 29.0 t0 55.22 58.86 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 109.29 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -80.4 28.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 1.0 111.034 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -115.77 10.02 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.255 -156.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -51.75 -38.21 54.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 1.0 109.333 -173.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 63.1 mtm-85 -69.31 -12.95 62.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 1.0 110.334 -167.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -121.9 -48.97 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 1.0 110.941 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -139.07 77.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 1.0 111.014 -169.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 153' ' ' ASN . 8.7 ptp180 -89.64 52.88 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.425 1.078 . . . . 1.0 110.347 165.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.18 35.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 110.28 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 151' ' ' ARG . 6.7 p30 -157.82 15.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.4 ttp -160.49 144.38 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.068 . . . . 1.0 111.099 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.016 -1.468 . . . . 1.0 110.979 171.313 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.465 0.174 . . . . 1.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -152.55 130.9 6.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 1.0 110.291 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 121.3 6.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 1.0 110.994 164.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.04 14.17 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 1.0 109.302 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.9 mm 41.15 124.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -128.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.09 44.63 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 1.0 109.636 -168.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -33.25 124.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 1.0 111.013 162.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.99 53.94 0.79 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.569 1.168 . . . . 1.0 111.062 -37.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.416 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -153.64 -15.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 1.0 109.223 -159.537 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.416 ' H ' ' H ' ' A' ' 143' ' ' ASN . 36.2 t0 63.33 54.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 162.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.426 ' C ' ' H ' ' A' ' 147' ' ' ASP . 15.3 p90 -132.83 -2.38 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 1.0 110.931 -169.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -78.71 15.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.0 110.309 -174.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 145' ' ' TYR . 78.5 m-20 -53.77 -44.76 70.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -72.44 -12.89 61.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 1.0 110.318 -165.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -93.53 -30.73 14.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 1.0 111.057 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -137.99 62.26 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 110.991 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.26 38.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 1.0 110.32 -158.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -92.4 47.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 1.0 110.293 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -161.52 21.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 1.0 109.305 165.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 2.8 ttt -158.17 -175.98 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 111.0 -161.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.036 -1.459 . . . . 1.0 111.035 164.832 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.555 0.217 . . . . 1.0 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -142.11 131.33 12.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 1.0 110.361 -165.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.57 2.75 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 1.0 110.986 165.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.89 19.61 11.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.344 -175.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.6 mm 30.96 119.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 1.0 109.361 -117.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.7 39.4 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 1.0 109.618 -170.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -30.9 125.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 1.0 111.005 159.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.46 53.3 0.8 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 1.0 111.031 -38.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.408 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -150.0 -12.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 1.0 109.269 -158.246 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.408 ' H ' ' H ' ' A' ' 143' ' ' ASN . 22.4 t70 55.79 53.38 9.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 1.0 109.29 177.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -92.23 -12.99 31.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.0 110.993 -175.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.71 -7.29 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.283 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.98 -33.94 58.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 1.0 109.342 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -62.12 -15.9 48.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 1.0 110.26 -173.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -115.11 -18.47 11.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 111.007 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -128.22 64.3 1.4 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 1.0 110.997 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 153' ' ' ASN . 14.5 ptp180 -92.06 51.47 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 1.0 110.27 -172.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -76.44 37.66 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 1.0 110.321 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p-10 -171.15 21.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 1.0 109.256 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 35.4 ttp -158.52 154.12 26.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 1.0 111.019 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 116.983 -1.484 . . . . 1.0 110.969 171.475 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.415 0.15 . . . . 1.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -133.18 165.34 37.42 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.587 1.18 . . . . 1.0 110.288 169.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 112.89 3.67 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.445 1.761 . . . . 1.0 110.961 169.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.0 tp -141.57 8.37 1.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 1.0 109.338 172.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.9 mm 23.03 105.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 1.0 109.329 -130.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -106.04 59.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 109.563 -169.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -35.38 129.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 1.0 110.952 166.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -137.64 70.94 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 1.0 110.982 -34.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -172.18 -18.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 1.0 109.311 -161.389 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.1 t0 61.41 65.28 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.552 1.158 . . . . 1.0 109.3 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -60.85 -13.63 16.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 1.0 111.029 168.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -77.65 -3.98 43.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 110.312 -173.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.7 -35.81 81.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 1.0 109.368 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -72.49 -16.11 61.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 1.0 110.298 -172.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 149' ' ' TYR . 2.8 m-85 -105.42 -53.87 2.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.493 1.12 . . . . 1.0 110.981 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -142.99 82.24 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.956 -165.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.473 ' C ' ' H ' ' A' ' 153' ' ' ASN . 8.9 ptp180 -87.6 53.38 2.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 1.0 110.369 162.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -77.1 37.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 110.331 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p30 -168.14 16.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 1.0 109.306 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 49.5 ttp -155.84 143.08 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 1.0 110.973 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 116.989 -1.481 . . . . 1.0 110.952 174.035 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 150' ' ' TYR . 12.0 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.455 0.169 . . . . 1.0 110.991 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.91 152.32 29.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.615 1.197 . . . . 1.0 110.274 -171.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 146.46 32.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.772 . . . . 1.0 110.933 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.5 mt -148.66 33.32 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 1.0 109.33 -166.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 mm -22.47 114.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 -103.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.23 65.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.618 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -34.68 127.36 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 110.948 171.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -144.74 55.65 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 1.0 110.961 -28.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -146.31 -3.11 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.724 . . . . 1.0 109.254 -166.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.36 49.59 16.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 1.0 109.314 173.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -8.52 54.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 111.012 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.74 11.56 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.13 -37.62 15.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 1.0 109.24 166.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -61.75 -14.88 36.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 1.0 110.264 -171.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -120.08 -52.66 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.984 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.413 ' HB3' ' HA ' ' A' ' 135' ' ' SER . 12.7 m-30 -97.17 34.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 1.0 111.076 -167.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 153' ' ' ASN . 1.3 ptp180 -81.44 49.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 110.289 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.1 31.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.307 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.485 ' H ' ' C ' ' A' ' 151' ' ' ARG . 10.0 p-10 -175.6 17.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 1.0 109.23 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 72.6 mtm -144.29 174.7 10.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 111.003 -173.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 116.951 -1.5 . . . . 1.0 111.053 -163.391 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.522 0.201 . . . . 1.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.429 HH22 ' HB2' ' A' ' 152' ' ' GLU . 40.9 ttm180 -154.94 123.37 2.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.345 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 131.48 14.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 1.0 110.903 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.0 mt -121.84 25.04 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 1.0 109.314 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 25.9 mm 34.45 114.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.308 -128.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -145.59 51.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 1.0 109.63 -169.865 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 140' ' ' HIS . 2.8 m-85 -34.32 122.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 1.0 110.937 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -141.56 53.23 0.65 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 1.0 111.017 -35.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.27 5.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 0.754 . . . . 1.0 109.285 -162.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 25.5 t0 58.14 56.3 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.27 161.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.87 -12.05 45.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 1.0 111.034 -175.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.82 0.88 22.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 1.0 110.279 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.96 -25.6 68.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.415 1.072 . . . . 1.0 109.302 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -13.7 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 1.0 110.313 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -123.75 -54.85 1.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.992 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -96.05 56.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 1.0 110.977 -161.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -106.65 48.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 1.0 110.312 151.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.429 ' HB2' HH22 ' A' ' 136' ' ' ARG . 2.7 mt-10 -87.14 35.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 1.0 110.332 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -168.49 17.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 1.0 109.312 -172.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 16.0 ptm -164.7 173.93 11.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 110.967 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.013 -1.47 . . . . 1.0 110.995 168.588 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.455 0.169 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -135.18 133.39 20.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 110.243 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 134.64 18.13 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 1.0 110.962 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 64.2 mt -141.26 28.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 -165.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 9.4 mm -12.74 110.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.282 -111.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.07 64.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 109.62 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -35.56 126.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.978 167.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -143.07 61.9 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 1.0 110.994 -28.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.65 -19.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 1.0 109.312 -162.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.58 48.55 9.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.297 159.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -101.13 -7.38 23.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 1.0 110.961 -168.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.48 7.44 14.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 1.0 110.312 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.52 -40.92 62.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 1.0 109.347 -168.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -69.31 -13.77 62.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.387 1.054 . . . . 1.0 110.263 -167.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -107.44 -11.91 15.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 1.0 110.996 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -128.39 41.79 3.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 1.0 111.063 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.458 ' C ' ' H ' ' A' ' 153' ' ' ASN . 10.8 ptt180 -92.84 51.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.328 -177.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -77.39 33.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 1.0 110.287 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 151' ' ' ARG . 3.9 p30 -169.63 13.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 1.0 109.383 -173.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 22.1 ttt -159.26 146.74 17.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 1.0 111.01 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 117.023 -1.465 . . . . 1.0 110.992 168.266 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.445 0.164 . . . . 1.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.0 mtm105 -143.7 147.88 40.78 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 1.0 110.316 172.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 148.33 35.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.771 . . . . 1.0 111.045 169.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tp -134.4 31.02 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 1.0 109.299 164.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 32.0 mm 36.38 116.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 1.0 109.29 -127.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -143.02 48.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.607 1.192 . . . . 1.0 109.556 -175.06 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 140' ' ' HIS . 48.7 m-85 -31.33 125.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 1.0 110.918 170.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -130.14 53.19 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 1.0 111.016 -37.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.415 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -152.21 -11.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 1.0 109.342 -160.589 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.415 ' H ' ' H ' ' A' ' 143' ' ' ASN . 19.0 t0 62.04 68.3 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 109.263 171.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.408 ' CD2' ' HG3' ' A' ' 146' ' ' GLU . 1.1 p90 -66.35 -15.07 62.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 1.0 110.986 171.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.408 ' HG3' ' CD2' ' A' ' 145' ' ' TYR . 22.6 mt-10 -86.74 -1.59 57.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 1.0 110.276 -171.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.63 -30.13 71.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -165.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . 0.416 ' H ' ' HD2' ' A' ' 148' ' ' ARG . 0.0 OUTLIER -60.42 -19.48 56.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 110.294 -176.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -111.97 -28.89 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 1.0 110.954 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -96.52 29.04 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 1.0 111.003 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -102.3 56.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 110.344 169.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.67 32.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 110.292 162.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -163.95 8.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.0 109.322 -165.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 53.9 ttm -156.89 137.21 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 111.071 -168.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 116.955 -1.498 . . . . 1.0 110.976 174.595 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.535 0.207 . . . . 1.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -62.6 147.43 92.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 110.276 165.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 132.91 15.8 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.518 1.799 . . . . 1.0 110.975 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tp -114.01 16.94 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.344 173.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 32.7 mm 26.15 112.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.323 -123.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.59 56.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.0 109.631 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -24.18 126.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 110.955 154.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.45 57.74 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 1.0 110.987 -32.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.24 -21.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 1.0 109.234 -163.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.6 t0 58.05 55.51 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 165.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -74.15 -7.63 53.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.0 110.983 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -82.44 3.89 26.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 -170.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -67.03 -35.54 80.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.29 -175.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -71.97 -11.08 60.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 1.0 110.216 -166.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -97.01 -24.49 15.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 110.958 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -127.98 58.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 1.0 111.041 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -92.31 47.41 1.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 1.0 110.294 -160.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -87.03 40.8 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 110.329 -176.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -154.13 -41.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 1.0 109.282 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 18.5 mmt -136.55 129.44 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 1.0 110.915 -176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.019 -1.467 . . . . 1.0 110.955 -173.854 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.6 p . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.549 0.214 . . . . 1.0 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -47.23 144.31 4.38 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 1.0 110.345 168.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 153.13 41.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.802 . . . . 1.0 111.018 172.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.01 21.12 6.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.215 170.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 11.8 mm 19.68 118.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 1.0 109.274 -111.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.73 50.96 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.531 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -27.12 126.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 111.005 158.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -140.78 55.93 0.61 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.492 1.12 . . . . 1.0 111.041 -30.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -147.81 -4.73 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 0.728 . . . . 1.0 109.256 -164.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.0 t70 58.23 54.04 6.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 167.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -9.91 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 110.978 -175.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -79.41 5.11 13.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 110.33 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.11 -35.66 26.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 1.0 109.34 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -69.07 -14.67 63.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 1.0 110.288 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -122.3 -48.56 2.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 1.0 111.041 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -121.78 49.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 110.992 -161.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.496 ' C ' ' H ' ' A' ' 153' ' ' ASN . 5.5 ptp180 -83.32 53.42 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 110.314 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.45 38.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.329 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.2 p-10 -152.2 9.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 1.0 109.274 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 28.4 ttt -160.44 135.1 7.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 1.0 111.02 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.04 -1.457 . . . . 1.0 110.992 169.714 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.501 0.191 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -57.83 153.33 32.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 110.246 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 121.54 6.64 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.495 1.787 . . . . 1.0 110.961 172.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 81.7 mt -140.87 34.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.332 -168.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.6 mm -13.58 104.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.234 -117.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.85 58.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 1.0 109.588 -173.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -36.51 125.3 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 1.0 111.022 172.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -141.9 56.41 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.572 1.17 . . . . 1.0 111.074 -31.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.56 -9.51 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 1.0 109.335 -162.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.5 t70 59.13 56.1 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 173.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -2.63 35.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 110.98 -172.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.25 16.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 1.0 110.265 170.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -48.59 -38.17 20.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -68.69 -12.62 61.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.5 1.125 . . . . 1.0 110.289 -168.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -119.91 -43.48 2.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 1.0 110.991 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.66 59.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 1.0 111.021 -171.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' ' 153' ' ' ASN . 6.1 ptp180 -82.42 52.13 1.98 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.544 1.153 . . . . 1.0 110.312 170.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -75.39 33.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 110.258 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.504 ' H ' ' C ' ' A' ' 151' ' ' ARG . 27.4 m120 -143.97 -4.66 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 1.0 109.345 -176.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.4 ttp -159.09 129.86 6.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 1.0 111.038 -172.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 116.984 -1.484 . . . . 1.0 111.026 178.657 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.428 0.156 . . . . 1.0 111.061 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -154.3 125.23 3.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 110.305 -175.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.87 10.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 1.0 110.995 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.33 23.66 6.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.442 1.089 . . . . 1.0 109.255 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 26.5 mm 27.83 113.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 1.0 109.3 -119.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.52 53.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 1.0 109.609 -171.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -32.87 125.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 1.0 111.051 169.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.04 52.33 0.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 1.0 111.016 -38.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.409 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -148.85 -12.54 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 1.0 109.317 -158.556 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.409 ' H ' ' H ' ' A' ' 143' ' ' ASN . 18.2 t0 57.09 54.75 6.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 1.0 109.343 175.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -73.58 -4.98 37.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 1.0 110.968 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -84.13 5.93 24.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 1.0 110.325 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -51.96 -37.74 54.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.329 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -77.78 -13.01 60.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 1.0 110.265 -165.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -95.76 -20.33 18.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 110.984 176.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -136.63 66.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 110.962 -170.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' A' ' 153' ' ' ASN . 3.4 ptm180 -92.98 54.68 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 110.318 -164.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -79.46 36.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 1.0 110.262 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.2 p-10 -159.56 41.21 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 1.0 109.288 -176.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 15.6 ttt -150.39 153.7 36.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 1.0 111.013 -174.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 61.7 t80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.028 -1.463 . . . . 1.0 110.995 161.681 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.596 0.236 . . . . 1.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.468 ' HE ' ' CD ' ' A' ' 152' ' ' GLU . 74.2 mtt180 -54.57 147.85 28.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 1.0 110.291 168.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.04 3.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 1.0 110.97 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.19 12.31 30.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.16 . . . . 1.0 109.247 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.2 mm 28.93 118.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.33 -122.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.01 54.07 1.98 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 1.0 109.656 -173.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -30.87 124.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 111.013 163.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -137.85 55.04 0.69 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 1.0 110.962 -34.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.83 -6.71 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 1.0 109.344 -160.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.8 t70 58.36 52.55 7.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.242 171.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -99.39 -12.78 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 1.0 111.048 -165.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.3 OUTLIER -81.43 2.11 30.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 110.325 172.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.57 -29.82 69.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.317 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -12.54 47.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.0 110.358 -177.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.05 -33.2 6.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 1.0 110.978 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -133.4 63.69 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 111.0 -172.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -94.78 53.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 110.33 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.468 ' CD ' ' HE ' ' A' ' 136' ' ' ARG . 0.7 OUTLIER -83.32 37.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 1.0 110.301 170.257 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.02 34.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 1.0 109.292 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 44.1 ttm -153.51 154.39 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 1.0 110.99 -169.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.065 -1.445 . . . . 1.0 111.0 167.898 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.49 0.186 . . . . 1.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -50.39 153.21 2.71 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 1.0 110.34 163.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 132.62 15.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 1.0 110.996 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 59.7 mt -115.63 19.31 15.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 1.0 109.335 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 25.5 mm 21.54 111.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.367 -118.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.02 60.58 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.61 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -33.13 125.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 1.0 111.014 166.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.63 52.62 0.73 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.572 1.17 . . . . 1.0 111.018 -35.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.83 3.17 0.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.523 0.778 . . . . 1.0 109.243 -162.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.0 t0 57.21 49.82 12.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 1.0 109.282 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.408 ' C ' ' H ' ' A' ' 147' ' ' ASP . 28.7 p90 -81.0 -2.54 48.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 1.0 110.955 -164.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.18 19.97 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 1.0 110.354 171.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 145' ' ' TYR . 0.7 OUTLIER -47.9 -38.78 17.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 1.0 109.278 174.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -64.11 -15.18 59.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.108 . . . . 1.0 110.338 -170.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -121.54 -45.64 2.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 110.989 -174.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -132.4 61.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 1.0 110.972 -170.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.467 ' C ' ' H ' ' A' ' 153' ' ' ASN . 1.1 ptp180 -80.27 51.83 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.611 1.194 . . . . 1.0 110.283 171.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -78.0 33.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.308 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' A' ' 151' ' ' ARG . 1.7 p-10 -175.7 26.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 1.0 109.262 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 7.9 mtt -152.2 170.29 20.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 1.0 111.023 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.938 -1.506 . . . . 1.0 111.05 -163.778 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.527 0.203 . . . . 1.0 111.084 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -142.81 101.1 5.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 1.0 110.333 -161.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 153.97 42.71 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.551 1.816 . . . . 1.0 110.991 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.5 tp -153.64 24.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 1.0 109.331 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.1 mm 36.91 116.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 -126.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.3 OUTLIER -154.62 45.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 1.0 109.629 -169.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 140' ' ' HIS . 58.8 m-85 -33.52 125.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 110.972 173.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -152.69 55.72 0.44 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 1.0 110.964 -31.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.27 3.37 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 109.276 -166.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 17.1 t70 61.14 57.42 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.278 167.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -120.08 -16.48 8.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 1.0 111.053 -169.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -88.33 -0.05 56.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 1.0 110.314 169.49 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.76 -43.68 75.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 109.266 -170.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -66.12 -17.28 64.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 1.0 110.278 -156.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.25 -39.73 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 110.989 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -124.68 40.65 3.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 111.032 -163.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.41 ' H ' ' HG3' ' A' ' 151' ' ' ARG . 0.0 OUTLIER -89.31 39.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 110.338 -160.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -90.28 46.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 110.326 -169.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -137.99 23.95 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 1.0 109.355 167.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 25.2 ttp -144.32 161.03 40.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 1.0 111.056 -169.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 116.98 -1.486 . . . . 1.0 110.996 165.007 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.495 0.188 . . . . 1.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.463 HH22 ' HB2' ' A' ' 152' ' ' GLU . 26.6 ttm180 -138.94 129.1 14.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.332 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 110.22 3.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 1.0 111.058 173.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 46.3 mt -123.9 22.89 8.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 1.0 109.298 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 19.1 mm 37.81 128.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 -119.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.97 32.05 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 109.595 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -28.86 126.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 111.039 158.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -142.42 53.59 0.62 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 1.0 111.02 -33.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -146.87 2.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 0.807 . . . . 1.0 109.326 -164.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 23.5 t70 63.68 61.16 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.323 158.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.403 ' CD2' ' HG3' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -103.27 -28.72 11.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 1.0 110.978 -171.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -72.06 -14.53 61.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 110.368 -176.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.03 -33.01 74.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 1.0 109.323 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -65.78 -16.04 63.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 1.0 110.34 -171.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -118.59 -54.17 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 1.0 110.977 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -110.83 49.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 1.0 110.989 -159.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -91.02 43.22 1.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.463 ' HB2' HH22 ' A' ' 136' ' ' ARG . 5.0 mp0 -85.53 41.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 110.263 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -166.21 24.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 14.0 ttp -156.15 22.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 1.0 110.988 -170.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.0 -1.476 . . . . 1.0 110.983 -171.842 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.478 0.18 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -139.13 157.3 71.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 110.274 161.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 110.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 1.0 111.003 163.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 76.1 mt -136.07 9.46 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.1 mm 31.18 110.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 1.0 109.293 -133.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.51 64.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 1.0 109.597 -174.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -33.79 125.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 1.0 111.038 170.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -136.74 55.93 0.69 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 1.0 111.013 -33.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.61 -16.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 1.0 109.288 -162.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 146' ' ' GLU . 22.4 t0 56.79 60.12 3.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 109.326 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.27 9.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 1.0 110.969 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 144' ' ' ASP . 34.5 mt-10 -92.06 13.25 19.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 1.0 110.366 -164.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -58.21 -50.1 74.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 1.0 109.302 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -76.56 -15.19 59.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 110.309 -165.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -94.17 -48.43 6.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.478 1.111 . . . . 1.0 111.029 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -118.83 61.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 -167.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.05 50.77 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 1.0 110.336 -168.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -85.26 37.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 110.298 166.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -147.19 24.23 1.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.591 1.182 . . . . 1.0 109.269 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 39.4 ttm -154.18 158.65 40.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 1.0 110.974 -173.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.005 -1.474 . . . . 1.0 111.061 168.049 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.475 ' HA ' ' OD1' ' A' ' 144' ' ' ASP . 4.5 t . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.512 0.196 . . . . 1.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 137' ' ' PRO . 95.5 mtt180 -144.96 135.28 11.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 110.265 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.98 146.19 32.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 1.0 110.983 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 12.3 tp -153.89 35.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 12.3 mm -18.15 110.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.301 -108.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -125.26 67.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.626 1.204 . . . . 1.0 109.657 -177.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -35.66 128.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 1.0 111.014 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -150.63 58.65 0.44 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.457 1.098 . . . . 1.0 110.991 -26.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.15 -22.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 1.0 109.328 -166.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.475 ' OD1' ' HA ' ' A' ' 135' ' ' SER . 2.2 t0 57.75 52.97 7.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 1.0 109.321 163.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -73.55 -11.79 60.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 110.973 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.73 -0.32 26.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 1.0 110.287 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -53.02 -36.27 60.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 1.0 109.262 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -69.46 -13.38 62.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 1.0 110.271 -168.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -100.73 -17.62 16.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 111.004 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -136.94 62.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 1.0 110.96 -176.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 153' ' ' ASN . 11.9 ptp180 -98.48 50.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 1.0 110.255 -158.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -78.05 36.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 1.0 110.292 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' A' ' 151' ' ' ARG . 1.2 p-10 -166.79 13.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 1.0 109.332 -176.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.7 tpp -165.84 149.92 8.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.383 1.052 . . . . 1.0 110.991 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.03 -1.462 . . . . 1.0 110.996 174.615 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.501 0.191 . . . . 1.0 111.037 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.475 ' H ' ' NH1' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -66.48 132.1 94.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 1.0 110.268 -173.726 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 1.0 110.94 158.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 71.6 mt -137.22 14.61 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 109.306 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 19.9 mm 39.31 125.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 1.0 109.351 -127.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -133.79 48.58 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 1.0 109.615 -174.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -28.36 124.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 1.0 110.96 161.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -131.45 51.73 0.85 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 1.0 110.951 -36.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.415 ' H ' ' H ' ' A' ' 144' ' ' ASP . 2.3 p-10 -173.36 -13.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 1.0 109.307 -153.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.415 ' H ' ' H ' ' A' ' 143' ' ' ASN . 7.1 t70 64.77 59.62 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 1.0 109.274 172.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -68.79 -11.41 60.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 110.939 -172.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -72.43 -4.83 32.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 110.281 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -54.31 -33.48 58.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 1.0 109.325 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -69.64 -11.46 60.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 1.0 110.296 -169.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -117.93 -16.9 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 111.077 173.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -141.58 78.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.0 111.023 -173.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -78.35 52.54 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 1.0 110.371 -175.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.63 40.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 1.0 110.279 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -136.5 14.31 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 63.6 mtt -141.45 156.82 45.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.996 -167.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.975 -1.488 . . . . 1.0 111.027 166.734 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.463 0.173 . . . . 1.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -163.73 115.59 1.02 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.553 1.158 . . . . 1.0 110.307 -171.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.38 40.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.466 1.772 . . . . 1.0 110.995 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.7 tp -157.25 33.4 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 1.0 109.334 -172.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 10.3 mm -22.55 115.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 1.0 109.312 -100.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 140' ' ' HIS . 5.2 p80 -136.16 79.92 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 1.0 109.677 176.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -43.51 137.47 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 1.0 110.987 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.86 57.36 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 1.0 111.025 -20.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.87 -22.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.759 . . . . 1.0 109.306 -169.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.4 t0 69.38 46.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.273 144.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.476 ' C ' ' H ' ' A' ' 147' ' ' ASP . 39.7 p90 -110.07 -5.81 15.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.596 1.185 . . . . 1.0 110.985 173.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.58 20.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 1.0 110.249 171.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 145' ' ' TYR . 26.1 t70 -50.49 -37.86 40.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 1.0 109.348 -176.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.46 -13.53 61.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 1.0 110.36 -167.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -96.14 -23.14 16.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 111.008 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -117.92 23.66 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.182 . . . . 1.0 110.981 -170.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.458 ' H ' ' HG3' ' A' ' 151' ' ' ARG . 0.0 OUTLIER -92.71 37.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 110.274 -171.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -86.69 40.47 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 1.0 110.238 -164.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -152.65 -0.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.254 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . 0.417 ' HG2' ' H ' ' A' ' 155' ' ' TYR . 2.8 ttt -165.93 -169.18 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 1.0 111.01 -170.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.417 ' H ' ' HG2' ' A' ' 154' ' ' MET . 38.1 m-85 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 116.919 -1.515 . . . . 1.0 111.033 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.582 0.23 . . . . 1.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -113.09 93.38 25.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 1.0 110.361 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 111.91 3.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 1.0 111.03 -174.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 70.5 mt -134.6 27.84 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 1.0 109.228 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 20.2 mm 39.84 125.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 1.0 109.289 -124.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 140' ' ' HIS . 0.4 OUTLIER -149.86 60.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.616 -171.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -37.91 131.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 110.978 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.44 59.89 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 1.0 110.994 -29.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.431 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.4 OUTLIER -158.67 -6.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 1.0 109.271 -169.254 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.431 ' H ' ' H ' ' A' ' 143' ' ' ASN . 29.0 t0 55.22 58.86 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 109.29 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -80.4 28.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 1.0 111.034 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -115.77 10.02 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.255 -156.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -51.75 -38.21 54.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 1.0 109.333 -173.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 63.1 mtm-85 -69.31 -12.95 62.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 1.0 110.334 -167.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -121.9 -48.97 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 1.0 110.941 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -139.07 77.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 1.0 111.014 -169.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 153' ' ' ASN . 8.7 ptp180 -89.64 52.88 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.425 1.078 . . . . 1.0 110.347 165.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.18 35.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 110.28 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p-10 -157.82 15.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.4 ttp -160.49 144.38 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.068 . . . . 1.0 111.099 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.016 -1.468 . . . . 1.0 110.979 171.313 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.465 0.174 . . . . 1.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -152.55 130.9 6.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 1.0 110.291 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 121.3 6.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 1.0 110.994 164.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.04 14.17 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 1.0 109.302 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.9 mm 41.15 124.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -128.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.09 44.63 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 1.0 109.636 -168.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -33.25 124.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 1.0 111.013 162.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.99 53.94 0.79 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.569 1.168 . . . . 1.0 111.062 -37.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.416 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -153.64 -15.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 1.0 109.223 -159.537 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.416 ' H ' ' H ' ' A' ' 143' ' ' ASN . 36.2 t0 63.33 54.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 162.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.426 ' C ' ' H ' ' A' ' 147' ' ' ASP . 15.3 p90 -132.83 -2.38 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 1.0 110.931 -169.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -78.71 15.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.0 110.309 -174.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 145' ' ' TYR . 78.5 m-20 -53.77 -44.76 70.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -72.44 -12.89 61.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 1.0 110.318 -165.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -93.53 -30.73 14.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 1.0 111.057 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -137.99 62.26 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 110.991 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.26 38.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 1.0 110.32 -158.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -92.4 47.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 1.0 110.293 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -161.52 21.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 1.0 109.305 165.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 2.8 ttt -158.17 -175.98 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 111.0 -161.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.036 -1.459 . . . . 1.0 111.035 164.832 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.555 0.217 . . . . 1.0 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -142.11 131.33 12.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 1.0 110.361 -165.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.57 2.75 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 1.0 110.986 165.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.89 19.61 11.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.344 -175.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.6 mm 30.96 119.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 1.0 109.361 -117.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.7 39.4 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 1.0 109.618 -170.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -30.9 125.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 1.0 111.005 159.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.46 53.3 0.8 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 1.0 111.031 -38.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . 0.408 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -150.0 -12.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 1.0 109.269 -158.246 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . 0.408 ' H ' ' H ' ' A' ' 143' ' ' ASN . 22.4 t70 55.79 53.38 9.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 1.0 109.29 177.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -92.23 -12.99 31.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.0 110.993 -175.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.71 -7.29 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.283 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.98 -33.94 58.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 1.0 109.342 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -62.12 -15.9 48.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 1.0 110.26 -173.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -115.11 -18.47 11.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 111.007 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -128.22 64.3 1.4 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 1.0 110.997 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 153' ' ' ASN . 14.5 ptp180 -92.06 51.47 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 1.0 110.27 -172.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -76.44 37.66 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 1.0 110.321 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p-10 -171.15 21.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 1.0 109.256 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 35.4 ttp -158.52 154.12 26.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 1.0 111.019 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 116.983 -1.484 . . . . 1.0 110.969 171.475 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.415 0.15 . . . . 1.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -133.18 165.34 37.42 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.587 1.18 . . . . 1.0 110.288 169.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 112.89 3.67 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.445 1.761 . . . . 1.0 110.961 169.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.0 tp -141.57 8.37 1.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 1.0 109.338 172.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.9 mm 23.03 105.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 1.0 109.329 -130.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -106.04 59.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 109.563 -169.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -35.38 129.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 1.0 110.952 166.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -137.64 70.94 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 1.0 110.982 -34.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -172.18 -18.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 1.0 109.311 -161.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.1 t0 61.41 65.28 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.552 1.158 . . . . 1.0 109.3 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -60.85 -13.63 16.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 1.0 111.029 168.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -77.65 -3.98 43.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 110.312 -173.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.7 -35.81 81.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 1.0 109.368 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -72.49 -16.11 61.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 1.0 110.298 -172.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 149' ' ' TYR . 2.8 m-85 -105.42 -53.87 2.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.493 1.12 . . . . 1.0 110.981 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -142.99 82.24 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.956 -165.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.473 ' C ' ' H ' ' A' ' 153' ' ' ASN . 8.9 ptp180 -87.6 53.38 2.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 1.0 110.369 162.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -77.1 37.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 110.331 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p30 -168.14 16.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 1.0 109.306 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 49.5 ttp -155.84 143.08 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 1.0 110.973 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 116.989 -1.481 . . . . 1.0 110.952 174.035 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 150' ' ' TYR . 12.0 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.455 0.169 . . . . 1.0 110.991 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.91 152.32 29.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.615 1.197 . . . . 1.0 110.274 -171.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 146.46 32.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.772 . . . . 1.0 110.933 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.5 mt -148.66 33.32 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 1.0 109.33 -166.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 mm -22.47 114.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 -103.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.23 65.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.618 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -34.68 127.36 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 110.948 171.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -144.74 55.65 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 1.0 110.961 -28.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -146.31 -3.11 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.724 . . . . 1.0 109.254 -166.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.36 49.59 16.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 1.0 109.314 173.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -8.52 54.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 111.012 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.74 11.56 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.13 -37.62 15.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 1.0 109.24 166.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -61.75 -14.88 36.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 1.0 110.264 -171.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -120.08 -52.66 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.984 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.413 ' HB3' ' HA ' ' A' ' 135' ' ' SER . 12.7 m-30 -97.17 34.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 1.0 111.076 -167.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 153' ' ' ASN . 1.3 ptp180 -81.44 49.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 110.289 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.1 31.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.307 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.485 ' H ' ' C ' ' A' ' 151' ' ' ARG . 10.0 p-10 -175.6 17.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 1.0 109.23 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 72.6 mtm -144.29 174.7 10.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 111.003 -173.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 116.951 -1.5 . . . . 1.0 111.053 -163.391 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.522 0.201 . . . . 1.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.429 HH22 ' HB2' ' A' ' 152' ' ' GLU . 40.9 ttm180 -154.94 123.37 2.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.345 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 131.48 14.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 1.0 110.903 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.0 mt -121.84 25.04 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 1.0 109.314 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 25.9 mm 34.45 114.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.308 -128.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -145.59 51.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 1.0 109.63 -169.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 140' ' ' HIS . 2.8 m-85 -34.32 122.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 1.0 110.937 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -141.56 53.23 0.65 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 1.0 111.017 -35.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.27 5.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 0.754 . . . . 1.0 109.285 -162.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 25.5 t0 58.14 56.3 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.27 161.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.87 -12.05 45.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 1.0 111.034 -175.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.82 0.88 22.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 1.0 110.279 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.96 -25.6 68.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.415 1.072 . . . . 1.0 109.302 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -13.7 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 1.0 110.313 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -123.75 -54.85 1.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.992 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -96.05 56.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 1.0 110.977 -161.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -106.65 48.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 1.0 110.312 151.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.429 ' HB2' HH22 ' A' ' 136' ' ' ARG . 2.7 mt-10 -87.14 35.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 1.0 110.332 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -168.49 17.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 1.0 109.312 -172.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 16.0 ptm -164.7 173.93 11.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 110.967 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.013 -1.47 . . . . 1.0 110.995 168.588 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.455 0.169 . . . . 1.0 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -135.18 133.39 20.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 110.243 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 134.64 18.13 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 1.0 110.962 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 64.2 mt -141.26 28.94 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 -165.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 9.4 mm -12.74 110.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.282 -111.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.07 64.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 1.0 109.62 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -35.56 126.27 0.65 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.978 167.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -143.07 61.9 0.51 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 1.0 110.994 -28.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.65 -19.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 0.751 . . . . 1.0 109.312 -162.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 t70 59.58 48.55 9.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.297 159.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -101.13 -7.38 23.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 1.0 110.961 -168.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.48 7.44 14.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 1.0 110.312 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -52.52 -40.92 62.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 1.0 109.347 -168.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -69.31 -13.77 62.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.387 1.054 . . . . 1.0 110.263 -167.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -107.44 -11.91 15.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 1.0 110.996 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -128.39 41.79 3.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.484 1.115 . . . . 1.0 111.063 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.458 ' C ' ' H ' ' A' ' 153' ' ' ASN . 10.8 ptt180 -92.84 51.52 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.328 -177.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -77.39 33.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 1.0 110.287 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 151' ' ' ARG . 3.9 p30 -169.63 13.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 1.0 109.383 -173.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 22.1 ttt -159.26 146.74 17.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 1.0 111.01 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 117.023 -1.465 . . . . 1.0 110.992 168.266 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.445 0.164 . . . . 1.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 36.0 mtm105 -143.7 147.88 40.78 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 1.0 110.316 172.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 148.33 35.32 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.771 . . . . 1.0 111.045 169.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.8 tp -134.4 31.02 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 1.0 109.299 164.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 32.0 mm 36.38 116.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 1.0 109.29 -127.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -143.02 48.61 1.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.607 1.192 . . . . 1.0 109.556 -175.06 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' A' ' 140' ' ' HIS . 48.7 m-85 -31.33 125.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 1.0 110.918 170.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -130.14 53.19 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 1.0 111.016 -37.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.415 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -152.21 -11.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 1.0 109.342 -160.589 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.415 ' H ' ' H ' ' A' ' 143' ' ' ASN . 19.0 t0 62.04 68.3 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 1.0 109.263 171.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.408 ' CD2' ' HG3' ' A' ' 146' ' ' GLU . 1.1 p90 -66.35 -15.07 62.97 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 1.0 110.986 171.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.408 ' HG3' ' CD2' ' A' ' 145' ' ' TYR . 22.6 mt-10 -86.74 -1.59 57.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.068 . . . . 1.0 110.276 -171.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.63 -30.13 71.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -165.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . 0.416 ' H ' ' HD2' ' A' ' 148' ' ' ARG . 0.0 OUTLIER -60.42 -19.48 56.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 1.0 110.294 -176.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -111.97 -28.89 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 1.0 110.954 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -96.52 29.04 3.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 1.0 111.003 -176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -102.3 56.12 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 1.0 110.344 169.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.67 32.35 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 110.292 162.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -163.95 8.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.0 109.322 -165.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 53.9 ttm -156.89 137.21 12.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 1.0 111.071 -168.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 57.8 t80 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 116.955 -1.498 . . . . 1.0 110.976 174.595 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.535 0.207 . . . . 1.0 111.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -62.6 147.43 92.69 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 1.0 110.276 165.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 132.91 15.8 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.518 1.799 . . . . 1.0 110.975 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.0 tp -114.01 16.94 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 1.0 109.344 173.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 32.7 mm 26.15 112.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 1.0 109.323 -123.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.59 56.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.0 109.631 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -24.18 126.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 110.955 154.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.45 57.74 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 1.0 110.987 -32.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.24 -21.09 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 1.0 109.234 -163.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.6 t0 58.05 55.51 5.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 165.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -74.15 -7.63 53.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.0 110.983 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -82.44 3.89 26.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 -170.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -67.03 -35.54 80.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.29 -175.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -71.97 -11.08 60.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 1.0 110.216 -166.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -97.01 -24.49 15.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 1.0 110.958 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -127.98 58.87 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 1.0 111.041 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -92.31 47.41 1.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 1.0 110.294 -160.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -87.03 40.8 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 1.0 110.329 -176.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -154.13 -41.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 1.0 109.282 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 18.5 mmt -136.55 129.44 30.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 1.0 110.915 -176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.019 -1.467 . . . . 1.0 110.955 -173.854 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.6 p . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.549 0.214 . . . . 1.0 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -47.23 144.31 4.38 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.446 1.091 . . . . 1.0 110.345 168.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 153.13 41.84 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.802 . . . . 1.0 111.018 172.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.01 21.12 6.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.215 170.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 11.8 mm 19.68 118.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 1.0 109.274 -111.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.73 50.96 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.531 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -27.12 126.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 1.0 111.005 158.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -140.78 55.93 0.61 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.492 1.12 . . . . 1.0 111.041 -30.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -147.81 -4.73 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 0.728 . . . . 1.0 109.256 -164.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.0 t70 58.23 54.04 6.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 1.0 109.287 167.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.68 -9.91 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 1.0 110.978 -175.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -79.41 5.11 13.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 1.0 110.33 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -50.11 -35.66 26.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 1.0 109.34 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -69.07 -14.67 63.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 1.0 110.288 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -122.3 -48.56 2.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 1.17 . . . . 1.0 111.041 -176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -121.78 49.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 1.0 110.992 -161.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.496 ' C ' ' H ' ' A' ' 153' ' ' ASN . 5.5 ptp180 -83.32 53.42 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 110.314 177.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.45 38.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.329 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.496 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.2 p-10 -152.2 9.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 1.0 109.274 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 28.4 ttt -160.44 135.1 7.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 1.0 111.02 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 117.04 -1.457 . . . . 1.0 110.992 169.714 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.501 0.191 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -57.83 153.33 32.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 110.246 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 121.54 6.64 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.495 1.787 . . . . 1.0 110.961 172.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 81.7 mt -140.87 34.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.332 -168.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.6 mm -13.58 104.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 1.0 109.234 -117.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -105.85 58.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 1.0 109.588 -173.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -36.51 125.3 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 1.0 111.022 172.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -141.9 56.41 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.572 1.17 . . . . 1.0 111.074 -31.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.56 -9.51 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 0.769 . . . . 1.0 109.335 -162.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.5 t70 59.13 56.1 4.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 1.0 109.291 173.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -2.63 35.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 1.0 110.98 -172.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.25 16.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 1.0 110.265 170.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -48.59 -38.17 20.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -68.69 -12.62 61.63 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.5 1.125 . . . . 1.0 110.289 -168.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -119.91 -43.48 2.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 1.0 110.991 -176.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -133.66 59.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 1.0 111.021 -171.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' ' 153' ' ' ASN . 6.1 ptp180 -82.42 52.13 1.98 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.544 1.153 . . . . 1.0 110.312 170.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -75.39 33.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 1.0 110.258 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.504 ' H ' ' C ' ' A' ' 151' ' ' ARG . 27.4 m120 -143.97 -4.66 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 1.0 109.345 -176.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.4 ttp -159.09 129.86 6.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 1.0 111.038 -172.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 116.984 -1.484 . . . . 1.0 111.026 178.657 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.428 0.156 . . . . 1.0 111.061 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.3 tpp85 -154.3 125.23 3.51 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 1.0 110.305 -175.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 126.87 10.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.546 1.814 . . . . 1.0 110.995 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.33 23.66 6.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.442 1.089 . . . . 1.0 109.255 178.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 26.5 mm 27.83 113.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 1.0 109.3 -119.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.52 53.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 1.0 109.609 -171.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -32.87 125.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 1.0 111.051 169.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.04 52.33 0.82 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.514 1.134 . . . . 1.0 111.016 -38.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.409 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -148.85 -12.54 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 0.776 . . . . 1.0 109.317 -158.556 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.409 ' H ' ' H ' ' A' ' 143' ' ' ASN . 18.2 t0 57.09 54.75 6.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 1.0 109.343 175.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -73.58 -4.98 37.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 1.0 110.968 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -84.13 5.93 24.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.449 1.093 . . . . 1.0 110.325 -177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -51.96 -37.74 54.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 1.0 109.329 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -77.78 -13.01 60.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 1.0 110.265 -165.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -95.76 -20.33 18.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 1.0 110.984 176.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -136.63 66.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 1.0 110.962 -170.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.437 ' C ' ' H ' ' A' ' 153' ' ' ASN . 3.4 ptm180 -92.98 54.68 2.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 1.0 110.318 -164.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -79.46 36.42 0.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 1.0 110.262 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.2 p-10 -159.56 41.21 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 1.0 109.288 -176.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 15.6 ttt -150.39 153.7 36.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 1.0 111.013 -174.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 61.7 t80 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.028 -1.463 . . . . 1.0 110.995 161.681 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.8 t . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.596 0.236 . . . . 1.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.468 ' HE ' ' CD ' ' A' ' 152' ' ' GLU . 74.2 mtt180 -54.57 147.85 28.02 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 1.0 110.291 168.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 111.04 3.23 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 1.0 110.97 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.19 12.31 30.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.16 . . . . 1.0 109.247 176.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.2 mm 28.93 118.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 1.0 109.33 -122.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -133.01 54.07 1.98 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 1.0 109.656 -173.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -30.87 124.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 1.0 111.013 163.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -137.85 55.04 0.69 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 1.0 110.962 -34.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.83 -6.71 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 1.0 109.344 -160.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.8 t70 58.36 52.55 7.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.242 171.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -99.39 -12.78 19.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 1.0 111.048 -165.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.3 OUTLIER -81.43 2.11 30.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 1.0 110.325 172.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.57 -29.82 69.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.317 178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -12.54 47.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.0 110.358 -177.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -111.05 -33.2 6.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 1.0 110.978 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -133.4 63.69 1.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 111.0 -172.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -94.78 53.37 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 110.33 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.468 ' CD ' ' HE ' ' A' ' 136' ' ' ARG . 0.7 OUTLIER -83.32 37.75 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 1.0 110.301 170.257 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.02 34.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 1.0 109.292 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 44.1 ttm -153.51 154.39 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 1.0 110.99 -169.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.065 -1.445 . . . . 1.0 111.0 167.898 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.49 0.186 . . . . 1.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -50.39 153.21 2.71 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 1.0 110.34 163.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 132.62 15.7 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.518 1.799 . . . . 1.0 110.996 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 59.7 mt -115.63 19.31 15.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 1.0 109.335 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 25.5 mm 21.54 111.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 1.0 109.367 -118.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.02 60.58 1.04 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 1.0 109.61 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -33.13 125.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 1.0 111.014 166.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.63 52.62 0.73 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.572 1.17 . . . . 1.0 111.018 -35.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.83 3.17 0.95 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.523 0.778 . . . . 1.0 109.243 -162.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.0 t0 57.21 49.82 12.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 1.0 109.282 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.408 ' C ' ' H ' ' A' ' 147' ' ' ASP . 28.7 p90 -81.0 -2.54 48.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 1.0 110.955 -164.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.18 19.97 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 1.0 110.354 171.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 145' ' ' TYR . 0.7 OUTLIER -47.9 -38.78 17.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 1.0 109.278 174.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -64.11 -15.18 59.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.108 . . . . 1.0 110.338 -170.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -121.54 -45.64 2.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 1.101 . . . . 1.0 110.989 -174.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -132.4 61.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 1.0 110.972 -170.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.467 ' C ' ' H ' ' A' ' 153' ' ' ASN . 1.1 ptp180 -80.27 51.83 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.611 1.194 . . . . 1.0 110.283 171.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -78.0 33.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.308 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' A' ' 151' ' ' ARG . 1.7 p-10 -175.7 26.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 1.0 109.262 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 7.9 mtt -152.2 170.29 20.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 1.0 111.023 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.938 -1.506 . . . . 1.0 111.05 -163.778 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.527 0.203 . . . . 1.0 111.084 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -142.81 101.1 5.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 1.0 110.333 -161.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 153.97 42.71 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.551 1.816 . . . . 1.0 110.991 176.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.5 tp -153.64 24.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 1.0 109.331 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.1 mm 36.91 116.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 -126.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.3 OUTLIER -154.62 45.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 1.0 109.629 -169.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 140' ' ' HIS . 58.8 m-85 -33.52 125.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 1.0 110.972 173.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -152.69 55.72 0.44 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 1.0 110.964 -31.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -143.27 3.37 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 1.0 109.276 -166.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 17.1 t70 61.14 57.42 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.278 167.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -120.08 -16.48 8.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 1.0 111.053 -169.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -88.33 -0.05 56.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 1.0 110.314 169.49 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.76 -43.68 75.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 1.0 109.266 -170.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -66.12 -17.28 64.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 1.0 110.278 -156.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.25 -39.73 20.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 1.0 110.989 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -124.68 40.65 3.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 111.032 -163.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.41 ' H ' ' HG3' ' A' ' 151' ' ' ARG . 0.0 OUTLIER -89.31 39.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 1.0 110.338 -160.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -90.28 46.32 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 1.0 110.326 -169.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -137.99 23.95 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 1.0 109.355 167.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 25.2 ttp -144.32 161.03 40.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 1.0 111.056 -169.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 116.98 -1.486 . . . . 1.0 110.996 165.007 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.495 0.188 . . . . 1.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.463 HH22 ' HB2' ' A' ' 152' ' ' GLU . 26.6 ttm180 -138.94 129.1 14.71 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 110.332 -178.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 110.22 3.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 1.0 111.058 173.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 46.3 mt -123.9 22.89 8.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 1.0 109.298 177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 19.1 mm 37.81 128.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 109.257 -119.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.97 32.05 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 109.595 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -28.86 126.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 111.039 158.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -142.42 53.59 0.62 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.553 1.158 . . . . 1.0 111.02 -33.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -146.87 2.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 0.807 . . . . 1.0 109.326 -164.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 23.5 t70 63.68 61.16 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 1.0 109.323 158.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.403 ' CD2' ' HG3' ' A' ' 146' ' ' GLU . 0.7 OUTLIER -103.27 -28.72 11.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 1.0 110.978 -171.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.46 ' CD ' ' H ' ' A' ' 146' ' ' GLU . 0.0 OUTLIER -72.06 -14.53 61.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 1.0 110.368 -176.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -63.03 -33.01 74.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 1.0 109.323 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -65.78 -16.04 63.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 1.0 110.34 -171.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -118.59 -54.17 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 1.0 110.977 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -110.83 49.23 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 1.0 110.989 -159.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -91.02 43.22 1.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.463 ' HB2' HH22 ' A' ' 136' ' ' ARG . 5.0 mp0 -85.53 41.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 1.0 110.263 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -166.21 24.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 14.0 ttp -156.15 22.03 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 1.0 110.988 -170.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.0 -1.476 . . . . 1.0 110.983 -171.842 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 59.2 m . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.478 0.18 . . . . 1.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -139.13 157.3 71.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 1.0 110.274 161.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 110.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 1.0 111.003 163.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 76.1 mt -136.07 9.46 3.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.552 1.157 . . . . 1.0 109.328 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.1 mm 31.18 110.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 1.0 109.293 -133.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.51 64.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 1.0 109.597 -174.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -33.79 125.11 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 1.0 111.038 170.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -136.74 55.93 0.69 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.467 1.104 . . . . 1.0 111.013 -33.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.61 -16.86 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 1.0 109.288 -162.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 146' ' ' GLU . 22.4 t0 56.79 60.12 3.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 1.0 109.326 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.27 9.73 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 1.0 110.969 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 144' ' ' ASP . 34.5 mt-10 -92.06 13.25 19.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 1.0 110.366 -164.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -58.21 -50.1 74.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 1.0 109.302 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -76.56 -15.19 59.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 1.0 110.309 -165.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -94.17 -48.43 6.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.478 1.111 . . . . 1.0 111.029 175.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -118.83 61.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 1.0 110.996 -167.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.05 50.77 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 1.0 110.336 -168.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -85.26 37.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 1.0 110.298 166.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -147.19 24.23 1.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.591 1.182 . . . . 1.0 109.269 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 39.4 ttm -154.18 158.65 40.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 1.0 110.974 -173.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 117.005 -1.474 . . . . 1.0 111.061 168.049 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.475 ' HA ' ' OD1' ' A' ' 144' ' ' ASP . 4.5 t . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.512 0.196 . . . . 1.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 137' ' ' PRO . 95.5 mtt180 -144.96 135.28 11.93 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 1.0 110.265 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 136' ' ' ARG . 18.2 Cg_endo -74.98 146.19 32.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.771 . . . . 1.0 110.983 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 12.3 tp -153.89 35.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 12.3 mm -18.15 110.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.301 -108.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -125.26 67.54 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.626 1.204 . . . . 1.0 109.657 -177.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -35.66 128.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.419 1.074 . . . . 1.0 111.014 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -150.63 58.65 0.44 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.457 1.098 . . . . 1.0 110.991 -26.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.15 -22.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 1.0 109.328 -166.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.475 ' OD1' ' HA ' ' A' ' 135' ' ' SER . 2.2 t0 57.75 52.97 7.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 1.0 109.321 163.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -73.55 -11.79 60.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 110.973 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.73 -0.32 26.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 1.0 110.287 175.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -53.02 -36.27 60.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 1.0 109.262 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -69.46 -13.38 62.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 1.0 110.271 -168.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -100.73 -17.62 16.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 1.0 111.004 177.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -136.94 62.35 1.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 1.0 110.96 -176.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.44 ' C ' ' H ' ' A' ' 153' ' ' ASN . 11.9 ptp180 -98.48 50.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 1.0 110.255 -158.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -78.05 36.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 1.0 110.292 -177.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' A' ' 151' ' ' ARG . 1.2 p-10 -166.79 13.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 1.0 109.332 -176.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.7 tpp -165.84 149.92 8.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.383 1.052 . . . . 1.0 110.991 -174.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.03 -1.462 . . . . 1.0 110.996 174.615 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.501 0.191 . . . . 1.0 111.037 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.475 ' H ' ' NH1' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -66.48 132.1 94.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 1.0 110.268 -173.726 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 1.0 110.94 158.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 71.6 mt -137.22 14.61 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 1.0 109.306 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 19.9 mm 39.31 125.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 1.0 109.351 -127.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -133.79 48.58 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 1.0 109.615 -174.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -28.36 124.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 1.0 110.96 161.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -131.45 51.73 0.85 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 1.0 110.951 -36.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.415 ' H ' ' H ' ' A' ' 144' ' ' ASP . 2.3 p-10 -173.36 -13.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 1.0 109.307 -153.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.415 ' H ' ' H ' ' A' ' 143' ' ' ASN . 7.1 t70 64.77 59.62 0.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 1.0 109.274 172.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -68.79 -11.41 60.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 1.0 110.939 -172.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -72.43 -4.83 32.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 1.0 110.281 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -54.31 -33.48 58.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 1.0 109.325 -175.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -69.64 -11.46 60.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 1.0 110.296 -169.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -117.93 -16.9 9.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 111.077 173.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -141.58 78.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 1.0 111.023 -173.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -78.35 52.54 1.15 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.436 1.085 . . . . 1.0 110.371 -175.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -81.63 40.92 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 1.0 110.279 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -136.5 14.31 3.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 1.0 109.279 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 63.6 mtt -141.45 156.82 45.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 1.0 110.996 -167.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.975 -1.488 . . . . 1.0 111.027 166.734 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 12.7 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.463 0.173 . . . . 1.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -163.73 115.59 1.02 Allowed Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.553 1.158 . . . . 1.0 110.307 -171.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.38 40.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.466 1.772 . . . . 1.0 110.995 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.7 tp -157.25 33.4 0.28 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.167 . . . . 1.0 109.334 -172.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 10.3 mm -22.55 115.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 1.0 109.312 -100.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 140' ' ' HIS . 5.2 p80 -136.16 79.92 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 1.0 109.677 176.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -43.51 137.47 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 1.0 110.987 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.86 57.36 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 1.0 111.025 -20.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.87 -22.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.759 . . . . 1.0 109.306 -169.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 33.4 t0 69.38 46.1 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.273 144.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.476 ' C ' ' H ' ' A' ' 147' ' ' ASP . 39.7 p90 -110.07 -5.81 15.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.596 1.185 . . . . 1.0 110.985 173.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.58 20.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 1.0 110.249 171.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.476 ' H ' ' C ' ' A' ' 145' ' ' TYR . 26.1 t70 -50.49 -37.86 40.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 1.0 109.348 -176.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -73.46 -13.53 61.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 1.0 110.36 -167.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -96.14 -23.14 16.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 1.0 111.008 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -117.92 23.66 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.182 . . . . 1.0 110.981 -170.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.458 ' H ' ' HG3' ' A' ' 151' ' ' ARG . 0.0 OUTLIER -92.71 37.09 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 110.274 -171.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -86.69 40.47 0.9 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.538 1.149 . . . . 1.0 110.238 -164.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -152.65 -0.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 1.0 109.254 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.417 ' HG2' ' H ' ' A' ' 155' ' ' TYR . 2.8 ttt -165.93 -169.18 1.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 1.0 111.01 -170.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.417 ' H ' ' HG2' ' A' ' 154' ' ' MET . 38.1 m-85 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 116.919 -1.515 . . . . 1.0 111.033 167.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.582 0.23 . . . . 1.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -113.09 93.38 25.17 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 1.0 110.361 165.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 111.91 3.44 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 1.0 111.03 -174.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 70.5 mt -134.6 27.84 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.6 1.188 . . . . 1.0 109.228 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 20.2 mm 39.84 125.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 1.0 109.289 -124.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 140' ' ' HIS . 0.4 OUTLIER -149.86 60.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 1.0 109.616 -171.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -37.91 131.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 110.978 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.44 59.89 0.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 1.0 110.994 -29.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.431 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.4 OUTLIER -158.67 -6.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 1.0 109.271 -169.254 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.431 ' H ' ' H ' ' A' ' 143' ' ' ASN . 29.0 t0 55.22 58.86 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 1.0 109.29 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -80.4 28.08 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 1.0 111.034 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -115.77 10.02 15.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 110.255 -156.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -51.75 -38.21 54.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 1.0 109.333 -173.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 63.1 mtm-85 -69.31 -12.95 62.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 1.0 110.334 -167.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -121.9 -48.97 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 1.0 110.941 -173.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -139.07 77.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 1.0 111.014 -169.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 153' ' ' ASN . 8.7 ptp180 -89.64 52.88 2.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.425 1.078 . . . . 1.0 110.347 165.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -75.18 35.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 110.28 178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p-10 -157.82 15.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.305 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 54.4 ttp -160.49 144.38 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.068 . . . . 1.0 111.099 -177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 49.9 t80 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.016 -1.468 . . . . 1.0 110.979 171.313 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.465 0.174 . . . . 1.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -152.55 130.9 6.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 1.0 110.291 -176.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 121.3 6.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 1.0 110.994 164.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.04 14.17 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 1.0 109.302 175.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.9 mm 41.15 124.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 1.0 109.271 -128.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.09 44.63 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 1.0 109.636 -168.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -33.25 124.74 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 1.0 111.013 162.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.99 53.94 0.79 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.569 1.168 . . . . 1.0 111.062 -37.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.416 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -153.64 -15.56 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 1.0 109.223 -159.537 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.416 ' H ' ' H ' ' A' ' 143' ' ' ASN . 36.2 t0 63.33 54.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 162.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.426 ' C ' ' H ' ' A' ' 147' ' ' ASP . 15.3 p90 -132.83 -2.38 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 1.0 110.931 -169.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -78.71 15.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 1.0 110.309 -174.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 145' ' ' TYR . 78.5 m-20 -53.77 -44.76 70.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 1.0 109.354 -176.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -72.44 -12.89 61.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 1.0 110.318 -165.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -93.53 -30.73 14.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 1.0 111.057 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -137.99 62.26 1.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 110.991 -175.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.26 38.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 1.0 110.32 -158.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -92.4 47.41 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 1.0 110.293 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -161.52 21.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 1.0 109.305 165.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 2.8 ttt -158.17 -175.98 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 1.0 111.0 -161.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.036 -1.459 . . . . 1.0 111.035 164.832 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.555 0.217 . . . . 1.0 110.955 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -142.11 131.33 12.19 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 1.0 110.361 -165.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.57 2.75 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.486 1.782 . . . . 1.0 110.986 165.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.89 19.61 11.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.344 -175.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.6 mm 30.96 119.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 1.0 109.361 -117.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.7 39.4 3.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 1.0 109.618 -170.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -30.9 125.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 1.0 111.005 159.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -127.46 53.3 0.8 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 1.0 111.031 -38.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.408 ' H ' ' H ' ' A' ' 144' ' ' ASP . 0.1 OUTLIER -150.0 -12.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 1.0 109.269 -158.246 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.408 ' H ' ' H ' ' A' ' 143' ' ' ASN . 22.4 t70 55.79 53.38 9.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 1.0 109.29 177.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -92.23 -12.99 31.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 1.0 110.993 -175.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.71 -7.29 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 1.0 110.283 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -53.98 -33.94 58.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 1.0 109.342 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -62.12 -15.9 48.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 1.0 110.26 -173.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -115.11 -18.47 11.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 111.007 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -128.22 64.3 1.4 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.412 1.07 . . . . 1.0 110.997 178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 153' ' ' ASN . 14.5 ptp180 -92.06 51.47 1.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 1.0 110.27 -172.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -76.44 37.66 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 1.0 110.321 -176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p-10 -171.15 21.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 1.0 109.256 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 35.4 ttp -158.52 154.12 26.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 1.0 111.019 -176.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 116.983 -1.484 . . . . 1.0 110.969 171.475 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.415 0.15 . . . . 1.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -133.18 165.34 37.42 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.587 1.18 . . . . 1.0 110.288 169.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 112.89 3.67 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.445 1.761 . . . . 1.0 110.961 169.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.0 tp -141.57 8.37 1.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 1.0 109.338 172.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 33.9 mm 23.03 105.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 1.0 109.329 -130.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -106.04 59.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 1.0 109.563 -169.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -35.38 129.47 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 1.0 110.952 166.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -137.64 70.94 0.47 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 1.0 110.982 -34.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -172.18 -18.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 1.0 109.311 -161.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.1 t0 61.41 65.28 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.552 1.158 . . . . 1.0 109.3 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -60.85 -13.63 16.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 1.0 111.029 168.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -77.65 -3.98 43.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 1.0 110.312 -173.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.7 -35.81 81.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 1.0 109.368 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.4 mmt85 -72.49 -16.11 61.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 1.0 110.298 -172.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . 0.415 ' CD1' ' N ' ' A' ' 149' ' ' TYR . 2.8 m-85 -105.42 -53.87 2.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.493 1.12 . . . . 1.0 110.981 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -142.99 82.24 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 1.0 110.956 -165.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.473 ' C ' ' H ' ' A' ' 153' ' ' ASN . 8.9 ptp180 -87.6 53.38 2.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 1.0 110.369 162.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -77.1 37.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 110.331 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 151' ' ' ARG . 2.5 p30 -168.14 16.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 1.0 109.306 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 49.5 ttp -155.84 143.08 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 1.0 110.973 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 . . . . . 0 C--O 1.251 1.137 0 CA-C-O 116.989 -1.481 . . . . 1.0 110.952 174.035 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 150' ' ' TYR . 12.0 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.455 0.169 . . . . 1.0 110.991 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.91 152.32 29.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.615 1.197 . . . . 1.0 110.274 -171.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 146.46 32.9 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.772 . . . . 1.0 110.933 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 56.5 mt -148.66 33.32 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 1.0 109.33 -166.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 mm -22.47 114.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 -103.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.23 65.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 1.0 109.618 179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -34.68 127.36 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 110.948 171.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -144.74 55.65 0.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 1.0 110.961 -28.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -146.31 -3.11 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.724 . . . . 1.0 109.254 -166.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.36 49.59 16.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 1.0 109.314 173.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -8.52 54.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 111.012 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -78.74 11.56 2.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 1.0 110.333 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.13 -37.62 15.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 1.0 109.24 166.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -61.75 -14.88 36.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 1.0 110.264 -171.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -120.08 -52.66 2.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 1.0 110.984 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.413 ' HB3' ' HA ' ' A' ' 135' ' ' SER . 12.7 m-30 -97.17 34.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 1.0 111.076 -167.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.485 ' C ' ' H ' ' A' ' 153' ' ' ASN . 1.3 ptp180 -81.44 49.23 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 1.0 110.289 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.1 31.87 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.307 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.485 ' H ' ' C ' ' A' ' 151' ' ' ARG . 10.0 p-10 -175.6 17.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 1.0 109.23 -179.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 72.6 mtm -144.29 174.7 10.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 1.0 111.003 -173.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 116.951 -1.5 . . . . 1.0 111.053 -163.391 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.522 0.201 . . . . 1.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.429 HH22 ' HB2' ' A' ' 152' ' ' GLU . 40.9 ttm180 -154.94 123.37 2.97 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 1.0 110.345 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 131.48 14.31 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.52 1.8 . . . . 1.0 110.903 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 80.0 mt -121.84 25.04 9.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 1.0 109.314 175.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 25.9 mm 34.45 114.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 1.0 109.308 -128.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -145.59 51.77 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 1.0 109.63 -169.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 140' ' ' HIS . 2.8 m-85 -34.32 122.89 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 1.0 110.937 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -141.56 53.23 0.65 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 1.0 111.017 -35.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.27 5.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 0.754 . . . . 1.0 109.285 -162.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 25.5 t0 58.14 56.3 4.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.27 161.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.87 -12.05 45.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 1.0 111.034 -175.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.82 0.88 22.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 1.0 110.279 175.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -62.96 -25.6 68.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.415 1.072 . . . . 1.0 109.302 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -13.7 11.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 1.0 110.313 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -123.75 -54.85 1.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 1.0 110.992 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -96.05 56.98 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 1.0 110.977 -161.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -106.65 48.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 1.0 110.312 151.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.429 ' HB2' HH22 ' A' ' 136' ' ' ARG . 2.7 mt-10 -87.14 35.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.404 1.065 . . . . 1.0 110.332 -177.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -168.49 17.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 1.0 109.312 -172.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . . . . . . . . . 16.0 ptm -164.7 173.93 11.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 1.0 110.967 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 81.4 t80 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 117.013 -1.47 . . . . 1.0 110.995 168.588 . . . . . . . . 0 0 . 1 stop_ save_