data_1hzm_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 1hzm _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.791 0.329 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.491 HG22 HD11 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -127.75 130.88 70.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.992 0.425 . . . . 0.0 110.998 179.522 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.93 91.06 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.717 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 63.84 44.86 4.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.217 0.532 . . . . 0.0 109.888 -178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.475 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 40.94 79.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.025 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.512 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.2 ttt180 -96.21 -39.17 0.27 Allowed Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 6' ' ' ARG . 31.5 Cg_exo -58.06 -168.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.092 1.861 . . . . 0.0 112.711 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.402 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -106.79 -54.99 0.07 OUTLIER Pre-proline 0 N--CA 1.464 0.249 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.628 -179.011 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD3' ' HB ' ' A' ' 8' ' ' VAL . 53.0 Cg_exo -56.12 -155.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.34 170.13 0.1 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.04 20.07 6.53 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.532 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.446 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -166.44 30.39 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -178.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.23 25.51 5.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.437 ' CB ' ' CD2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -111.69 109.9 20.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.583 179.212 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.12 -84.95 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.426 HD13 ' CB ' ' A' ' 17' ' ' SER . 1.9 pp -100.53 -38.01 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.561 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.499 ' HB2' ' CZ2' ' A' ' 105' ' ' TRP . 1.4 m -170.93 79.35 0.08 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.3 -61.61 1.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.92 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.417 ' OG1' ' N ' ' A' ' 20' ' ' VAL . 9.2 t -170.8 -163.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.793 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.486 ' CG1' ' CZ2' ' A' ' 22' ' ' TRP . 60.1 t -127.81 117.72 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' CB ' ' HE2' ' A' ' 14' ' ' MET . . . -153.76 156.59 38.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.091 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.527 ' CD1' ' CB ' ' A' ' 26' ' ' GLN . 0.1 OUTLIER 172.08 40.32 0.0 OUTLIER 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.442 -179.375 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.0 159.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.34 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -53.08 -24.08 9.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.302 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -52.88 -64.6 0.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.445 179.015 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.527 ' CB ' ' CD1' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -63.62 -52.08 62.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.752 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -48.61 -27.27 2.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.266 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -90.65 -42.8 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.804 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 33' ' ' ARG . 3.6 mp -40.12 -80.91 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.545 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' HA2' ' CA ' ' A' ' 51' ' ' GLU . . . 47.56 59.15 6.15 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.884 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -147.55 -80.79 0.14 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.019 0.437 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.41 33.59 2.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.169 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.438 ' CB ' HD21 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -118.09 3.24 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.975 -178.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD21 ' CH2' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -174.24 173.01 3.15 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.699 0.285 . . . . 0.0 110.605 178.66 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 54' ' ' ILE . 35.6 tp -150.31 101.56 2.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.577 -177.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD21 ' CH2' ' A' ' 22' ' ' TRP . 2.2 mm? -87.82 175.54 7.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.949 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.43 ' HB2' HD11 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -143.41 104.67 4.27 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.322 178.167 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.494 ' HB2' ' CE2' ' A' ' 98' ' ' TYR . 2.2 p-10 -170.61 147.52 2.89 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.559 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 71.26 -160.8 0.13 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.547 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 25.6 ttp85 179.16 -49.12 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.003 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 40' ' ' ARG . 52.9 Cg_exo -59.43 -65.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.609 2.206 . . . . 0.0 112.736 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.34 42.56 1.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.07 0.462 . . . . 0.0 110.4 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 46' ' ' GLU . 1.6 pt-20 -36.81 -32.61 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.337 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.87 -58.42 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.065 0.46 . . . . 0.0 110.816 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CD2' ' CG ' ' A' ' 150' ' ' ASN . 0.1 OUTLIER -64.66 -55.25 21.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.042 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' O ' ' CD2' ' A' ' 49' ' ' HIS . 0.3 OUTLIER -52.07 -38.3 56.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.151 179.137 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 4.1 t -61.8 -37.45 84.42 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -54.43 -40.86 68.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.039 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.489 ' CE1' ' HB ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -49.53 -26.74 3.7 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.436 179.045 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.489 ' HB ' ' CE1' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -136.03 -156.33 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.124 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' N ' ' CG2' ' A' ' 50' ' ' ILE . 9.0 mt-10 -71.98 -84.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.0 t -135.43 85.0 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.649 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' CB ' ' OE1' ' A' ' 46' ' ' GLU . . . -67.13 152.86 44.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.499 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.465 HD11 ' CD2' ' A' ' 35' ' ' LEU . 66.3 mt -105.89 154.04 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.748 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -73.27 89.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.159 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.48 ' CG2' ' N ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -90.08 153.55 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.41 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.27 94.56 5.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.055 -178.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.505 HD12 HG23 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -116.92 176.29 1.62 Allowed Pre-proline 0 C--N 1.329 -0.289 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.136 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 58' ' ' ILE . 14.8 Cg_exo -65.58 -68.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.429 2.086 . . . . 0.0 111.608 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -126.7 44.11 1.28 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.414 ' HA ' HG13 ' A' ' 58' ' ' ILE . 37.6 mm 68.2 40.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 0.0 109.868 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 98' ' ' TYR . 4.9 mtp 60.41 44.57 11.97 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -177.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 70.45 24.9 4.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.763 -176.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 42.11 52.19 4.41 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.215 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER 167.96 111.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.975 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 66' ' ' LEU . 30.3 tp -64.98 73.82 0.04 OUTLIER 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.467 ' NE2' ' HB3' ' A' ' 145' ' ' LEU . 22.7 mt-30 -159.61 91.83 1.01 Allowed 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.115 -176.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.484 ' CE ' ' CD2' ' A' ' 71' ' ' LEU . 1.5 pptp? 175.5 -55.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.122 0.486 . . . . 0.0 111.685 -176.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.411 ' N ' ' HD2' ' A' ' 68' ' ' LYS . . . 57.91 73.93 0.4 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 -175.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -164.53 -30.36 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -175.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.484 ' CD2' ' CE ' ' A' ' 68' ' ' LYS . 1.1 mm? -37.19 138.15 0.57 Allowed Pre-proline 0 N--CA 1.471 0.607 0 CA-C-O 120.705 0.288 . . . . 0.0 111.555 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.68 154.24 6.92 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.0 2.466 . . . . 0.0 113.668 -176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.435 ' CG2' ' HD2' ' A' ' 74' ' ' ARG . 2.8 m -52.99 142.07 6.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.447 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.435 ' HD2' ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER 49.74 26.98 2.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.965 0.412 . . . . 0.0 109.952 -178.073 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.98 -36.78 2.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.978 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.498 ' N ' ' CD1' ' A' ' 76' ' ' LEU . 0.0 OUTLIER -137.97 86.79 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.71 0.767 . . . . 0.0 111.789 -179.375 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.483 ' CD1' HD23 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -178.83 -81.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.324 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -63.44 77.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.97 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 77' ' ' PHE . 10.8 mtt-85 -148.21 -50.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.81 -73.31 0.3 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.738 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.64 -44.2 37.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 0.0 111.301 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -50.7 -65.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.958 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.422 ' O ' ' CG2' ' A' ' 87' ' ' THR . 6.1 tpt180 -55.49 -25.4 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.43 -62.82 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.316 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.446 ' CB ' HG23 ' A' ' 54' ' ' ILE . 9.6 mpt_? -61.65 -39.95 93.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.181 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.431 ' HA ' HD11 ' A' ' 54' ' ' ILE . 31.0 t80 -62.23 -65.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.601 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 83' ' ' ARG . 13.5 t -51.44 -24.73 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.644 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -75.66 -43.25 48.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.807 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.422 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 1.2 mpt_? -108.86 27.37 9.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.752 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 86' ' ' PHE . 17.5 p -83.5 145.97 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.051 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.65 12.64 57.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.781 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -55.92 10.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.739 0.304 . . . . 0.0 110.955 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -173.01 -57.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.442 ' CG2' ' CZ ' ' A' ' 130' ' ' PHE . 58.8 m -147.62 141.46 25.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.726 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 94.9 t -113.94 130.47 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.511 ' CG2' ' CE2' ' A' ' 130' ' ' PHE . 64.9 t -139.93 135.88 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.544 ' CD2' ' CE1' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -111.46 168.84 9.23 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.997 0.427 . . . . 0.0 110.679 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.502 ' O ' ' CG ' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -123.12 54.06 1.27 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.2 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -77.73 -23.36 49.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.781 178.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 76.51 170.65 0.24 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.221 0.534 . . . . 0.0 112.012 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.484 ' HA ' ' CZ2' ' A' ' 105' ' ' TRP . 1.8 t -64.74 128.8 37.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.026 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.9 t 53.48 84.57 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.026 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m -159.96 -83.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.756 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.416 ' O ' ' CD2' ' A' ' 115' ' ' LEU . 0.9 OUTLIER -84.21 -19.09 34.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.993 179.113 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.499 ' CZ2' ' HB2' ' A' ' 17' ' ' SER . 0.0 OUTLIER -114.45 -10.88 12.55 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.447 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 67.85 10.07 7.54 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.497 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . 28.2 tt0 65.8 77.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.757 0.313 . . . . 0.0 110.892 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.95 -47.83 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p 51.57 28.81 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -128.31 -42.2 0.26 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.599 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 137.91 58.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.379 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -58.48 -160.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 0.0 111.027 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.6 p -104.07 -60.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.196 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -55.16 -85.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.416 ' CD2' ' O ' ' A' ' 104' ' ' ASP . 1.3 mm? -61.16 -24.58 66.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.797 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.0 -40.49 95.54 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.833 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -82.67 -32.25 28.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.595 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 77' ' ' PHE . 1.6 tm? -62.26 -44.92 95.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.376 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.512 ' CD2' ' CE1' ' A' ' 131' ' ' TYR . 0.2 OUTLIER -70.88 -51.0 29.0 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.999 178.071 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -39.65 26.3 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.022 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -71.5 -43.59 66.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.585 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.419 HD12 ' CZ ' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -58.67 -35.32 72.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 179.713 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.5 ttmm -84.57 -36.59 21.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.712 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -52.14 -45.74 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.706 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.56 -25.0 65.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.29 66.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 9.8 m -161.41 168.44 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -89.95 -43.04 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 53.8 107.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.678 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.511 ' CE2' ' CG2' ' A' ' 96' ' ' VAL . 1.4 p90 -148.64 139.29 22.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.267 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.544 ' CE1' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.41 -174.96 2.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.24 0.543 . . . . 0.0 111.138 -179.054 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.484 ' CD2' ' CB ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -89.8 -175.13 4.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.055 178.051 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.438 ' HG3' ' CB ' ' A' ' 101' ' ' SER . 7.1 tt0 -178.47 -80.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 0.0 111.11 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 130.38 51.54 0.1 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.156 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.406 ' O ' ' CD2' ' A' ' 139' ' ' PHE . . . -99.29 130.42 10.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.147 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 55.8 163.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.078 0.466 . . . . 0.0 111.285 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -56.98 -18.75 14.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.057 179.151 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -74.36 -66.38 0.74 Allowed 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 139' ' ' PHE . 0.6 OUTLIER -60.54 -35.36 75.83 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.919 -177.509 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 144' ' ' SER . 5.8 pt20 -73.55 -34.41 65.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.394 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 137' ' ' SER . . . -58.86 -36.22 74.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.031 0.443 . . . . 0.0 110.097 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -63.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.964 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.484 ' CB ' ' CD2' ' A' ' 132' ' ' LEU . 11.1 m-85 -130.19 62.72 1.56 Allowed 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.118 0.485 . . . . 0.0 110.586 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 140' ' ' GLN . 0.0 OUTLIER -55.67 -167.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.461 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.486 ' O ' ' CG ' ' A' ' 146' ' ' HIS . 0.6 OUTLIER -55.24 88.94 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.216 179.258 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 145' ' ' LEU . 2.1 m-70 174.16 -91.91 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 148' ' ' GLU . 52.5 t 54.61 62.61 2.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.638 0.256 . . . . 0.0 111.096 -178.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 147' ' ' CYS . 36.0 mt-10 -162.06 161.49 28.34 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.981 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.44 HG21 ' CA ' ' A' ' 49' ' ' HIS . 6.5 t -143.09 -46.78 0.3 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.157 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . 0.426 ' CG ' ' CD2' ' A' ' 45' ' ' TYR . 7.4 t-20 -108.56 19.91 19.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.976 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 151' ' ' LEU . 1.8 mm? -120.1 -40.68 2.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.216 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -127.91 -40.4 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.95 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 67.94 -123.51 18.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.791 0.329 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.748 ' H ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -127.75 130.88 70.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.992 0.425 . . . . 0.0 110.998 179.522 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.93 91.06 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.717 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.629 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 63.84 44.86 4.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.217 0.532 . . . . 0.0 109.888 -178.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.721 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER 40.94 79.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.025 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.512 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.2 ttt180 -96.21 -39.17 0.27 Allowed Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 6' ' ' ARG . 31.5 Cg_exo -58.06 -168.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.092 1.861 . . . . 0.0 112.711 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.43 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -106.79 -54.99 0.07 OUTLIER Pre-proline 0 N--CA 1.464 0.249 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.628 -179.011 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD3' ' HB ' ' A' ' 8' ' ' VAL . 53.0 Cg_exo -56.12 -155.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.34 170.13 0.1 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.04 20.07 6.53 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.532 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.479 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -166.44 30.39 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -178.692 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.23 25.51 5.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.896 ' CE ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -111.69 109.9 20.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.583 179.212 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.12 -84.95 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.93 HD12 ' OG ' ' A' ' 17' ' ' SER . 1.9 pp -100.53 -38.01 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.561 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.93 ' OG ' HD12 ' A' ' 16' ' ' ILE . 1.4 m -170.93 79.35 0.08 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.3 -61.61 1.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.92 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.666 HG21 ' HA ' ' A' ' 139' ' ' PHE . 9.2 t -170.8 -163.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.793 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.948 HG11 HD11 ' A' ' 50' ' ' ILE . 60.1 t -127.81 117.72 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.896 ' HB3' ' CE ' ' A' ' 14' ' ' MET . . . -153.76 156.59 38.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.091 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.816 ' NE1' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER 172.08 40.32 0.0 OUTLIER 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.442 -179.375 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.0 159.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.34 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -53.08 -24.08 9.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.302 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.946 ' O ' HD13 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -52.88 -64.6 0.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.445 179.015 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.527 ' CB ' ' CD1' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -63.62 -52.08 62.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.752 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.816 HD12 ' NE1' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -48.61 -27.27 2.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.266 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -90.65 -42.8 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.804 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.946 HD13 ' O ' ' A' ' 25' ' ' GLU . 3.6 mp -40.12 -80.91 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.545 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' HA2' ' CA ' ' A' ' 51' ' ' GLU . . . 47.56 59.15 6.15 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.884 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -147.55 -80.79 0.14 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.019 0.437 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.41 33.59 2.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.169 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.891 ' CB ' HD23 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -118.09 3.24 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.975 -178.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.51 HD21 ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -174.24 173.01 3.15 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.699 0.285 . . . . 0.0 110.605 178.66 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.926 HD22 ' O ' ' A' ' 89' ' ' ARG . 35.6 tp -150.31 101.56 2.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.577 -177.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.793 HD21 ' CH2' ' A' ' 22' ' ' TRP . 2.2 mm? -87.82 175.54 7.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.949 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.645 ' HG2' HD12 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -143.41 104.67 4.27 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.322 178.167 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 98' ' ' TYR . 2.2 p-10 -170.61 147.52 2.89 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.559 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.748 ' HA ' HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER 71.26 -160.8 0.13 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.547 178.422 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 25.6 ttp85 179.16 -49.12 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.003 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.759 ' CD ' HD11 ' A' ' 61' ' ' ILE . 52.9 Cg_exo -59.43 -65.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.609 2.206 . . . . 0.0 112.736 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.34 42.56 1.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.07 0.462 . . . . 0.0 110.4 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 46' ' ' GLU . 1.6 pt-20 -36.81 -32.61 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.337 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.87 -58.42 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.065 0.46 . . . . 0.0 110.816 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CD2' ' CG ' ' A' ' 150' ' ' ASN . 0.1 OUTLIER -64.66 -55.25 21.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.042 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.564 ' HB3' HD21 ' A' ' 151' ' ' LEU . 0.3 OUTLIER -52.07 -38.3 56.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.151 179.137 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 4.1 t -61.8 -37.45 84.42 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -54.43 -40.86 68.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.039 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.682 ' HB3' HG22 ' A' ' 149' ' ' THR . 0.0 OUTLIER -49.53 -26.74 3.7 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.436 179.045 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.948 HD11 HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -136.03 -156.33 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.124 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.676 ' N ' HG23 ' A' ' 50' ' ' ILE . 9.0 mt-10 -71.98 -84.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.0 t -135.43 85.0 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.649 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' CB ' ' OE1' ' A' ' 46' ' ' GLU . . . -67.13 152.86 44.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.499 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.75 HD11 ' CG ' ' A' ' 35' ' ' LEU . 66.3 mt -105.89 154.04 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.748 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -73.27 89.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.159 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -90.08 153.55 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.41 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.27 94.56 5.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.055 -178.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.999 HG23 HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -116.92 176.29 1.62 Allowed Pre-proline 0 C--N 1.329 -0.289 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.136 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.698 ' HD3' HG22 ' A' ' 58' ' ' ILE . 14.8 Cg_exo -65.58 -68.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.429 2.086 . . . . 0.0 111.608 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -126.7 44.11 1.28 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.759 HD11 ' CD ' ' A' ' 41' ' ' PRO . 37.6 mm 68.2 40.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 0.0 109.868 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.908 ' HG2' HG21 ' A' ' 58' ' ' ILE . 4.9 mtp 60.41 44.57 11.97 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER 70.45 24.9 4.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.763 -176.162 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 42.11 52.19 4.41 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.215 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER 167.96 111.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.975 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.659 HD22 HD13 ' A' ' 132' ' ' LEU . 30.3 tp -64.98 73.82 0.04 OUTLIER 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.538 ' HB3' HD23 ' A' ' 145' ' ' LEU . 22.7 mt-30 -159.61 91.83 1.01 Allowed 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.115 -176.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.85 ' CE ' HD23 ' A' ' 71' ' ' LEU . 1.5 pptp? 175.5 -55.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.122 0.486 . . . . 0.0 111.685 -176.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' ' 68' ' ' LYS . . . 57.91 73.93 0.4 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 -175.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -164.53 -30.36 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -175.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.85 HD23 ' CE ' ' A' ' 68' ' ' LYS . 1.1 mm? -37.19 138.15 0.57 Allowed Pre-proline 0 N--CA 1.471 0.607 0 CA-C-O 120.705 0.288 . . . . 0.0 111.555 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.744 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 77.2 Cg_exo -50.68 154.24 6.92 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.0 2.466 . . . . 0.0 113.668 -176.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.691 HG23 ' HD2' ' A' ' 74' ' ' ARG . 2.8 m -52.99 142.07 6.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.447 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.691 ' HD2' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER 49.74 26.98 2.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.965 0.412 . . . . 0.0 109.952 -178.073 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 72' ' ' PRO . . . -43.98 -36.78 2.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.978 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.999 HD12 HG23 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -137.97 86.79 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.71 0.767 . . . . 0.0 111.789 -179.375 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.842 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -178.83 -81.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.324 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -63.44 77.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.97 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 77' ' ' PHE . 10.8 mtt-85 -148.21 -50.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.81 -73.31 0.3 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.738 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.64 -44.2 37.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 0.0 111.301 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -50.7 -65.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.958 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.757 ' O ' HG22 ' A' ' 87' ' ' THR . 6.1 tpt180 -55.49 -25.4 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.43 -62.82 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.316 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.584 ' HB3' HG23 ' A' ' 54' ' ' ILE . 9.6 mpt_? -61.65 -39.95 93.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.181 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.659 ' HE1' HG21 ' A' ' 95' ' ' VAL . 31.0 t80 -62.23 -65.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.601 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 83' ' ' ARG . 13.5 t -51.44 -24.73 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.644 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -75.66 -43.25 48.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.807 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.926 ' O ' HD22 ' A' ' 35' ' ' LEU . 1.2 mpt_? -108.86 27.37 9.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.752 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 86' ' ' PHE . 17.5 p -83.5 145.97 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.051 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.65 12.64 57.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.781 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -55.92 10.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.739 0.304 . . . . 0.0 110.955 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -173.01 -57.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.561 HG21 ' HZ ' ' A' ' 130' ' ' PHE . 58.8 m -147.62 141.46 25.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.726 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.659 HG21 ' HE1' ' A' ' 86' ' ' PHE . 94.9 t -113.94 130.47 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 130' ' ' PHE . 64.9 t -139.93 135.88 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.893 HD22 ' CD1' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -111.46 168.84 9.23 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.997 0.427 . . . . 0.0 110.679 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -123.12 54.06 1.27 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.2 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -77.73 -23.36 49.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.781 178.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.479 ' HG3' HD11 ' A' ' 66' ' ' LEU . 11.2 tt0 76.51 170.65 0.24 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.221 0.534 . . . . 0.0 112.012 178.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.496 ' HA ' ' CZ2' ' A' ' 105' ' ' TRP . 1.8 t -64.74 128.8 37.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.026 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.9 t 53.48 84.57 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.026 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m -159.96 -83.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.756 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.51 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -84.21 -19.09 34.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.993 179.113 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 17' ' ' SER . 0.0 OUTLIER -114.45 -10.88 12.55 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.447 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 67.85 10.07 7.54 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.505 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . 28.2 tt0 65.8 77.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.757 0.313 . . . . 0.0 110.892 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.95 -47.83 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p 51.57 28.81 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -128.31 -42.2 0.26 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.599 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 137.91 58.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.379 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -58.48 -160.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 0.0 111.027 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.6 p -104.07 -60.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.196 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.545 HD22 ' H ' ' A' ' 114' ' ' LEU . 2.7 mm? -55.16 -85.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 104' ' ' ASP . 1.3 mm? -61.16 -24.58 66.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.797 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.0 -40.49 95.54 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.833 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.669 HD13 ' O ' ' A' ' 117' ' ' LEU . 3.3 tm? -82.67 -32.25 28.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.595 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.842 HD11 ' CZ ' ' A' ' 77' ' ' PHE . 1.6 tm? -62.26 -44.92 95.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.376 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.857 HD23 ' OH ' ' A' ' 131' ' ' TYR . 0.2 OUTLIER -70.88 -51.0 29.0 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.999 178.071 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -39.65 26.3 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.022 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -71.5 -43.59 66.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.585 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.407 ' CD1' ' CZ ' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -58.67 -35.32 72.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 179.713 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 127' ' ' CYS . 9.5 ttmm -84.57 -36.59 21.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.712 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -52.14 -45.74 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.706 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.56 -25.0 65.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.29 66.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 9.8 m -161.41 168.44 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.675 ' HG2' HD11 ' A' ' 5' ' ' LEU . 3.4 tpt180 -89.95 -43.04 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 53.8 107.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.678 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.848 ' O ' HG13 ' A' ' 96' ' ' VAL . 1.4 p90 -148.64 139.29 22.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.267 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.893 ' CD1' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.41 -174.96 2.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.24 0.543 . . . . 0.0 111.138 -179.054 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.707 ' HG ' HG23 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -89.8 -175.13 4.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.055 178.051 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.466 ' HG3' ' CB ' ' A' ' 101' ' ' SER . 7.1 tt0 -178.47 -80.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 0.0 111.11 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 130.38 51.54 0.1 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.156 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.406 ' O ' ' CD2' ' A' ' 139' ' ' PHE . . . -99.29 130.42 10.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.147 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 55.8 163.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.078 0.466 . . . . 0.0 111.285 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.666 ' O ' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -56.98 -18.75 14.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.057 179.151 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -74.36 -66.38 0.74 Allowed 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PHE . . . . . 0.666 ' HA ' HG21 ' A' ' 19' ' ' THR . 0.6 OUTLIER -60.54 -35.36 75.83 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.919 -177.509 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 144' ' ' SER . 5.8 pt20 -73.55 -34.41 65.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.394 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 137' ' ' SER . . . -58.86 -36.22 74.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.031 0.443 . . . . 0.0 110.097 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.409 ' CD ' ' HB2' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -70.84 -63.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.964 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.531 ' CE2' HD12 ' A' ' 50' ' ' ILE . 11.1 m-85 -130.19 62.72 1.56 Allowed 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.118 0.485 . . . . 0.0 110.586 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 140' ' ' GLN . 0.0 OUTLIER -55.67 -167.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.461 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 67' ' ' GLN . 0.6 OUTLIER -55.24 88.94 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.216 179.258 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 145' ' ' LEU . 2.1 m-70 174.16 -91.91 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' CYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . 52.5 t 54.61 62.61 2.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.638 0.256 . . . . 0.0 111.096 -178.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 147' ' ' CYS . 36.0 mt-10 -162.06 161.49 28.34 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.981 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.682 HG22 ' HB3' ' A' ' 49' ' ' HIS . 6.5 t -143.09 -46.78 0.3 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.157 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASN . . . . . 0.695 ' C ' HD22 ' A' ' 151' ' ' LEU . 7.4 t-20 -108.56 19.91 19.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.976 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 150' ' ' ASN . 1.8 mm? -120.1 -40.68 2.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.216 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -127.91 -40.4 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.95 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 67.94 -123.51 18.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.791 0.329 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.748 ' H ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER -127.75 130.88 70.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.992 0.425 . . . . 0.0 110.998 179.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.93 91.06 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.717 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.629 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 63.84 44.86 4.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.217 0.532 . . . . 0.0 109.888 -178.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.721 ' N ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER 40.94 79.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.025 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.512 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 12.2 ttt180 -96.21 -39.17 0.27 Allowed Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 6' ' ' ARG . 31.5 Cg_exo -58.06 -168.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.092 1.861 . . . . 0.0 112.711 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.43 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -106.79 -54.99 0.07 OUTLIER Pre-proline 0 N--CA 1.464 0.249 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.628 -179.011 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD3' ' HB ' ' A' ' 8' ' ' VAL . 53.0 Cg_exo -56.12 -155.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.635 2.223 . . . . 0.0 112.332 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.34 170.13 0.1 Allowed 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.04 20.07 6.53 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.532 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.479 ' HA ' ' HB2' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -166.44 30.39 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -178.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.23 25.51 5.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.896 ' CE ' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -111.69 109.9 20.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.583 179.212 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.12 -84.95 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.93 HD12 ' OG ' ' A' ' 17' ' ' SER . 1.9 pp -100.53 -38.01 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.561 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.93 ' OG ' HD12 ' A' ' 16' ' ' ILE . 1.4 m -170.93 79.35 0.08 Allowed 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.3 -61.61 1.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.92 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.666 HG21 ' HA ' ' A' ' 139' ' ' PHE . 9.2 t -170.8 -163.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.793 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.948 HG11 HD11 ' A' ' 50' ' ' ILE . 60.1 t -127.81 117.72 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.896 ' HB3' ' CE ' ' A' ' 14' ' ' MET . . . -153.76 156.59 38.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.091 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.816 ' NE1' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER 172.08 40.32 0.0 OUTLIER 'General case' 0 C--O 1.237 0.433 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.442 -179.375 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.0 159.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.34 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -53.08 -24.08 9.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.302 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.946 ' O ' HD13 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -52.88 -64.6 0.77 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.445 179.015 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.527 ' CB ' ' CD1' ' A' ' 22' ' ' TRP . 0.7 OUTLIER -63.62 -52.08 62.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.752 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.816 HD12 ' NE1' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -48.61 -27.27 2.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.266 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -90.65 -42.8 10.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.804 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.946 HD13 ' O ' ' A' ' 25' ' ' GLU . 3.6 mp -40.12 -80.91 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.545 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.451 ' HA2' ' CA ' ' A' ' 51' ' ' GLU . . . 47.56 59.15 6.15 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.884 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -147.55 -80.79 0.14 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.019 0.437 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.41 33.59 2.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.169 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.891 ' CB ' HD23 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -118.09 3.24 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.975 -178.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.51 HD21 ' CZ3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -174.24 173.01 3.15 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-O 120.699 0.285 . . . . 0.0 110.605 178.66 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.926 HD22 ' O ' ' A' ' 89' ' ' ARG . 35.6 tp -150.31 101.56 2.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.577 -177.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.793 HD21 ' CH2' ' A' ' 22' ' ' TRP . 2.2 mm? -87.82 175.54 7.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.949 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.645 ' HG2' HD12 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -143.41 104.67 4.27 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.322 178.167 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 98' ' ' TYR . 2.2 p-10 -170.61 147.52 2.89 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.559 -179.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.748 ' HA ' HD12 ' A' ' 61' ' ' ILE . 0.1 OUTLIER 71.26 -160.8 0.13 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.547 178.422 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 25.6 ttp85 179.16 -49.12 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.003 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.759 ' CD ' HD11 ' A' ' 61' ' ' ILE . 52.9 Cg_exo -59.43 -65.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.609 2.206 . . . . 0.0 112.736 -178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.34 42.56 1.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.07 0.462 . . . . 0.0 110.4 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.468 ' HA ' ' CG ' ' A' ' 46' ' ' GLU . 1.6 pt-20 -36.81 -32.61 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.337 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.87 -58.42 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.065 0.46 . . . . 0.0 110.816 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CD2' ' CG ' ' A' ' 150' ' ' ASN . 0.1 OUTLIER -64.66 -55.25 21.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.042 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.564 ' HB3' HD21 ' A' ' 151' ' ' LEU . 0.3 OUTLIER -52.07 -38.3 56.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.151 179.137 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 4.1 t -61.8 -37.45 84.42 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -54.43 -40.86 68.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.039 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.682 ' HB3' HG22 ' A' ' 149' ' ' THR . 0.0 OUTLIER -49.53 -26.74 3.7 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.436 179.045 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.948 HD11 HG11 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -136.03 -156.33 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.124 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.676 ' N ' HG23 ' A' ' 50' ' ' ILE . 9.0 mt-10 -71.98 -84.23 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.0 t -135.43 85.0 2.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.649 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' CB ' ' OE1' ' A' ' 46' ' ' GLU . . . -67.13 152.86 44.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.499 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.75 HD11 ' CG ' ' A' ' 35' ' ' LEU . 66.3 mt -105.89 154.04 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.748 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -73.27 89.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.159 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -90.08 153.55 3.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.41 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.27 94.56 5.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.055 -178.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.999 HG23 HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -116.92 176.29 1.62 Allowed Pre-proline 0 C--N 1.329 -0.289 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.136 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.698 ' HD3' HG22 ' A' ' 58' ' ' ILE . 14.8 Cg_exo -65.58 -68.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.429 2.086 . . . . 0.0 111.608 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -126.7 44.11 1.28 Allowed Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.759 HD11 ' CD ' ' A' ' 41' ' ' PRO . 37.6 mm 68.2 40.11 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 0.0 109.868 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.908 ' HG2' HG21 ' A' ' 58' ' ' ILE . 4.9 mtp 60.41 44.57 11.97 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 -177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER 70.45 24.9 4.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.763 -176.162 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 42.11 52.19 4.41 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.215 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER 167.96 111.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.975 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.659 HD22 HD13 ' A' ' 132' ' ' LEU . 30.3 tp -64.98 73.82 0.04 OUTLIER 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.538 ' HB3' HD23 ' A' ' 145' ' ' LEU . 22.7 mt-30 -159.61 91.83 1.01 Allowed 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.115 -176.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.85 ' CE ' HD23 ' A' ' 71' ' ' LEU . 1.5 pptp? 175.5 -55.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.122 0.486 . . . . 0.0 111.685 -176.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' ' 68' ' ' LYS . . . 57.91 73.93 0.4 Allowed Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 110.325 -1.11 . . . . 0.0 110.325 -175.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -164.53 -30.36 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -175.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.85 HD23 ' CE ' ' A' ' 68' ' ' LYS . 1.1 mm? -37.19 138.15 0.57 Allowed Pre-proline 0 N--CA 1.471 0.607 0 CA-C-O 120.705 0.288 . . . . 0.0 111.555 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.744 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 77.2 Cg_exo -50.68 154.24 6.92 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.0 2.466 . . . . 0.0 113.668 -176.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.691 HG23 ' HD2' ' A' ' 74' ' ' ARG . 2.8 m -52.99 142.07 6.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.447 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.691 ' HD2' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER 49.74 26.98 2.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.965 0.412 . . . . 0.0 109.952 -178.073 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 72' ' ' PRO . . . -43.98 -36.78 2.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.978 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.999 HD12 HG23 ' A' ' 58' ' ' ILE . 0.0 OUTLIER -137.97 86.79 2.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.71 0.767 . . . . 0.0 111.789 -179.375 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.842 ' CZ ' HD11 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -178.83 -81.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.324 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -63.44 77.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.97 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 77' ' ' PHE . 10.8 mtt-85 -148.21 -50.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 147.81 -73.31 0.3 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.738 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.64 -44.2 37.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 0.0 111.301 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -50.7 -65.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.958 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.757 ' O ' HG22 ' A' ' 87' ' ' THR . 6.1 tpt180 -55.49 -25.4 36.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -61.43 -62.82 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.316 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.584 ' HB3' HG23 ' A' ' 54' ' ' ILE . 9.6 mpt_? -61.65 -39.95 93.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.181 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.659 ' HE1' HG21 ' A' ' 95' ' ' VAL . 31.0 t80 -62.23 -65.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.601 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.757 HG22 ' O ' ' A' ' 83' ' ' ARG . 13.5 t -51.44 -24.73 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.644 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -75.66 -43.25 48.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.807 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.926 ' O ' HD22 ' A' ' 35' ' ' LEU . 1.2 mpt_? -108.86 27.37 9.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.752 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 86' ' ' PHE . 17.5 p -83.5 145.97 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.051 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.65 12.64 57.93 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.781 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -55.92 10.19 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.739 0.304 . . . . 0.0 110.955 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -173.01 -57.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.561 HG21 ' HZ ' ' A' ' 130' ' ' PHE . 58.8 m -147.62 141.46 25.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.726 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.659 HG21 ' HE1' ' A' ' 86' ' ' PHE . 94.9 t -113.94 130.47 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 130' ' ' PHE . 64.9 t -139.93 135.88 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.225 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.893 HD22 ' CD1' ' A' ' 131' ' ' TYR . 0.0 OUTLIER -111.46 168.84 9.23 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.997 0.427 . . . . 0.0 110.679 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -123.12 54.06 1.27 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.2 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -77.73 -23.36 49.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.781 178.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.479 ' HG3' HD11 ' A' ' 66' ' ' LEU . 11.2 tt0 76.51 170.65 0.24 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.221 0.534 . . . . 0.0 112.012 178.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.496 ' HA ' ' CZ2' ' A' ' 105' ' ' TRP . 1.8 t -64.74 128.8 37.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.026 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.9 t 53.48 84.57 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.026 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 m -159.96 -83.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.756 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.51 ' O ' HD23 ' A' ' 115' ' ' LEU . 0.9 OUTLIER -84.21 -19.09 34.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.993 179.113 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.526 ' CZ2' ' HB2' ' A' ' 17' ' ' SER . 0.0 OUTLIER -114.45 -10.88 12.55 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.447 -179.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 67.85 10.07 7.54 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.505 ' HA ' ' CE3' ' A' ' 105' ' ' TRP . 28.2 tt0 65.8 77.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.757 0.313 . . . . 0.0 110.892 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.95 -47.83 2.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.1 p 51.57 28.81 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -128.31 -42.2 0.26 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.599 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 137.91 58.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.379 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -58.48 -160.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 0.0 111.027 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.6 p -104.07 -60.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.196 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.545 HD22 ' H ' ' A' ' 114' ' ' LEU . 2.7 mm? -55.16 -85.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.019 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 104' ' ' ASP . 1.3 mm? -61.16 -24.58 66.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.797 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -59.0 -40.49 95.54 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.833 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.669 HD13 ' O ' ' A' ' 117' ' ' LEU . 3.3 tm? -82.67 -32.25 28.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.595 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.842 HD11 ' CZ ' ' A' ' 77' ' ' PHE . 1.6 tm? -62.26 -44.92 95.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.376 179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.857 HD23 ' OH ' ' A' ' 131' ' ' TYR . 0.2 OUTLIER -70.88 -51.0 29.0 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.999 178.071 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.83 -39.65 26.3 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.022 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -71.5 -43.59 66.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.585 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.407 ' CD1' ' CZ ' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -58.67 -35.32 72.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 179.713 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 127' ' ' CYS . 9.5 ttmm -84.57 -36.59 21.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.712 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -52.14 -45.74 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.706 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.56 -25.0 65.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 123.29 66.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 123' ' ' LYS . 9.8 m -161.41 168.44 23.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.675 ' HG2' HD11 ' A' ' 5' ' ' LEU . 3.4 tpt180 -89.95 -43.04 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 53.8 107.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.678 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.848 ' O ' HG13 ' A' ' 96' ' ' VAL . 1.4 p90 -148.64 139.29 22.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.267 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.893 ' CD1' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.41 -174.96 2.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.24 0.543 . . . . 0.0 111.138 -179.054 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.707 ' HG ' HG23 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -89.8 -175.13 4.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.055 178.051 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.466 ' HG3' ' CB ' ' A' ' 101' ' ' SER . 7.1 tt0 -178.47 -80.98 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 0.0 111.11 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 130.38 51.54 0.1 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.156 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.406 ' O ' ' CD2' ' A' ' 139' ' ' PHE . . . -99.29 130.42 10.22 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.147 -178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 55.8 163.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.078 0.466 . . . . 0.0 111.285 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.666 ' O ' ' HB2' ' A' ' 141' ' ' ALA . 0.0 OUTLIER -56.98 -18.75 14.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.057 179.151 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -74.36 -66.38 0.74 Allowed 'General case' 0 C--O 1.234 0.245 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PHE . . . . . 0.666 ' HA ' HG21 ' A' ' 19' ' ' THR . 0.6 OUTLIER -60.54 -35.36 75.83 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.919 -177.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 144' ' ' SER . 5.8 pt20 -73.55 -34.41 65.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.394 178.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 137' ' ' SER . . . -58.86 -36.22 74.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.031 0.443 . . . . 0.0 110.097 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.409 ' CD ' ' HB2' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -70.84 -63.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.964 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.531 ' CE2' HD12 ' A' ' 50' ' ' ILE . 11.1 m-85 -130.19 62.72 1.56 Allowed 'General case' 0 CA--C 1.515 -0.376 0 CA-C-O 121.118 0.485 . . . . 0.0 110.586 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 140' ' ' GLN . 0.0 OUTLIER -55.67 -167.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.461 179.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 67' ' ' GLN . 0.6 OUTLIER -55.24 88.94 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.216 179.258 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 145' ' ' LEU . 2.1 m-70 174.16 -91.91 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . 0.451 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . 52.5 t 54.61 62.61 2.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.638 0.256 . . . . 0.0 111.096 -178.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 147' ' ' CYS . 36.0 mt-10 -162.06 161.49 28.34 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.981 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.682 HG22 ' HB3' ' A' ' 49' ' ' HIS . 6.5 t -143.09 -46.78 0.3 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.157 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.695 ' C ' HD22 ' A' ' 151' ' ' LEU . 7.4 t-20 -108.56 19.91 19.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.976 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 150' ' ' ASN . 1.8 mm? -120.1 -40.68 2.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.216 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -127.91 -40.4 1.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.95 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 67.94 -123.51 18.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.892 179.869 . . . . . . . . 1 1 . 1 stop_ save_