data_5kk9_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 5kk9 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptt? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.863 0.363 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.608 HD21 ' N ' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -97.29 123.31 41.06 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.248 0.547 . . . . 0.0 110.662 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.608 ' N ' HD21 ' A' ' 2' ' ' ASN . 26.8 p-90 -163.2 -69.38 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.094 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.0 m 23.63 41.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.913 0.758 . . . . 0.0 111.191 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -166.03 19.52 0.1 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.105 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.525 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.4 pp -107.1 18.75 21.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.609 -0.348 . . . . 0.0 111.559 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -139.16 -52.0 0.54 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.3 p -113.85 18.2 17.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.413 HD12 ' HA2' ' A' ' 5' ' ' GLY . 80.7 mt -141.9 -57.85 0.47 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.986 0.422 . . . . 0.0 111.521 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 4.9 mp . . . . . 0 C--N 1.318 -0.779 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.927 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.853 0.359 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 3.2 t30 -126.56 5.87 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.566 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.6 p-90 -48.63 -24.68 1.43 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.741 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' TRP . 29.0 m -33.35 88.76 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.973 0.796 . . . . 0.0 110.622 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 140.06 4.39 1.33 Allowed Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.923 -178.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.525 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -79.39 17.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.101 0.477 . . . . 0.0 111.683 -179.351 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -128.28 -31.65 2.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.611 -179.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.8 p -144.78 11.25 1.41 Allowed 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' HB2' ' CA ' ' A' ' 5' ' ' GLY . 78.0 mt -144.13 13.81 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.181 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.558 ' H ' ' CD1' ' A' ' 10' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.249 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.745 0.307 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.51 20.74 15.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.532 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.608 ' O ' ' N ' ' A' ' 5' ' ' GLY . 69.3 p-90 -68.56 -18.55 64.37 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.137 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.3 m -38.58 84.55 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 124.148 0.905 . . . . 0.0 111.171 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 163.04 -22.06 0.18 Allowed Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.727 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.578 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -62.78 12.98 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -135.84 -34.51 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.034 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.6 p -122.68 15.11 10.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.945 0.403 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -142.81 -62.97 0.42 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.234 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 5' ' ' GLY . 4.4 mp . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.61 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.658 0.266 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.5 HD22 ' N ' ' A' ' 3' ' ' TRP . 1.1 t-20 -92.21 125.85 37.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.324 0.583 . . . . 0.0 111.292 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.57 ' O ' ' N ' ' A' ' 5' ' ' GLY . 24.8 p-90 -164.22 -70.76 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.869 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 t 29.45 30.82 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 123.719 0.637 . . . . 0.0 111.817 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -165.3 30.43 0.22 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.514 -0.851 . . . . 0.0 113.342 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.511 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -109.87 25.45 11.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.983 0.42 . . . . 0.0 111.71 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.637 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -131.04 -35.78 1.37 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.963 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -141.82 9.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.9 mt -141.31 19.57 2.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.899 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.264 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.489 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.73 0.3 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 3' ' ' TRP . 0.5 OUTLIER -118.28 -5.03 10.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.729 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.551 ' O ' ' N ' ' A' ' 5' ' ' GLY . 35.4 p-90 -34.54 -71.45 0.07 Allowed 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.513 0.508 . . . . 0.0 111.429 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.6 m 25.31 39.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.633 0.583 . . . . 0.0 110.929 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -170.44 27.54 0.11 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.167 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.507 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.8 pp -111.17 24.95 12.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.945 0.402 . . . . 0.0 111.859 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.631 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -130.12 -39.52 1.36 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.143 179.682 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -139.32 10.5 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.0 mt -141.98 19.26 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.466 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.577 0.227 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.459 HD21 ' N ' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -93.67 118.63 31.64 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.405 0.622 . . . . 0.0 110.87 179.293 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 5' ' ' GLY . 21.1 p-90 -167.36 -72.76 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.849 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 t 29.79 30.43 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 123.81 0.694 . . . . 0.0 111.407 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -163.91 32.0 0.27 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.205 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.523 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 pp -113.61 20.35 16.04 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.622 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -126.43 -39.21 2.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.125 -179.836 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.3 p -141.56 11.19 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.3 mt -141.16 15.04 2.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.129 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.536 ' H ' ' CD1' ' A' ' 10' ' ' LEU . 5.3 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.219 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.69 0.281 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.26 21.21 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.586 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.0 p-90 -74.38 -8.16 55.32 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.507 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 m -50.44 82.73 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 123.741 0.651 . . . . 0.0 110.251 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 156.03 24.54 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.786 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.586 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.9 pp -114.29 14.17 17.99 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.966 0.413 . . . . 0.0 110.635 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.625 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -136.18 -52.39 0.72 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.441 -178.117 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.9 p -106.12 -4.74 20.01 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 4.0 mm? -124.39 -50.75 1.76 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.19 0.519 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 C--N 1.318 -0.771 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.928 179.562 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.659 0.266 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 2.4 t30 -71.46 -2.58 17.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.578 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.6 p-90 -46.49 -26.43 0.86 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.91 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 3' ' ' TRP . 26.5 m -32.53 87.7 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 124.112 0.883 . . . . 0.0 110.587 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 142.0 1.3 1.35 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.809 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.538 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -76.37 17.97 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.0 112.086 -179.318 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -128.35 -32.98 2.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.675 -179.425 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.9 p -143.67 9.09 1.55 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.741 0.305 . . . . 0.0 111.695 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.5 mt -144.07 17.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.261 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.553 ' H ' ' CD1' ' A' ' 10' ' ' LEU . 5.2 mp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.369 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.482 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 3.2 t30 -121.25 6.81 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.57 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.2 p-90 -50.49 -21.27 1.42 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.708 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' TRP . 28.7 m -36.57 89.13 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.885 0.741 . . . . 0.0 110.276 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 135.13 27.94 0.45 Allowed Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.303 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -106.6 15.01 26.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.298 0.57 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.602 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -129.81 -56.73 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.712 -177.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.1 p -112.27 19.6 17.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.2 mt -141.82 -57.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.915 0.388 . . . . 0.0 111.524 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.443 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 4.7 mp . . . . . 0 C--N 1.318 -0.791 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.962 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.444 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.886 0.374 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.74 23.22 6.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.521 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.602 ' HE3' ' HG ' ' A' ' 6' ' ' LEU . 67.5 p-90 -64.69 -22.5 66.99 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.154 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' TRP . 51.3 m -33.38 86.25 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 124.289 0.993 . . . . 0.0 111.182 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 154.89 -6.64 0.29 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.933 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.602 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.3 pp -76.61 15.61 0.61 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.166 0.483 . . . . 0.0 111.925 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -133.78 -23.97 1.76 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.838 -179.355 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.412 ' HG1' ' HG ' ' A' ' 9' ' ' LEU . 50.8 p -144.22 4.54 1.24 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.418 ' HB2' ' CA ' ' A' ' 5' ' ' GLY . 64.2 mt -141.02 9.01 2.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.696 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.255 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.653 0.263 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.7 22.04 13.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.561 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.585 ' HE3' ' HG ' ' A' ' 6' ' ' LEU . 70.1 p-90 -72.58 -9.33 58.45 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.389 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.7 m -48.23 84.39 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.747 0.654 . . . . 0.0 110.503 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 155.29 18.5 0.04 OUTLIER Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.089 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.585 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.9 pp -107.15 15.69 24.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.115 0.483 . . . . 0.0 110.505 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -138.99 -52.35 0.56 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.566 -178.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.9 p -110.94 24.3 13.1 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.24 -53.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.553 0.692 . . . . 0.0 110.453 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 10' ' ' LEU . 4.1 mt . . . . . 0 C--N 1.315 -0.913 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.209 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.418 ' HG3' ' HD1' ' A' ' 3' ' ' TRP . 12.4 tpt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.601 0.238 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.476 ' ND2' ' N ' ' A' ' 3' ' ' TRP . 1.9 t-20 -88.14 133.18 34.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.287 0.565 . . . . 0.0 111.27 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.598 ' HE3' ' HG ' ' A' ' 6' ' ' LEU . 64.8 p-90 -178.64 -31.19 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.213 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' TRP . 40.8 m -24.38 83.92 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 124.473 1.108 . . . . 0.0 111.269 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 159.42 -8.36 0.15 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.852 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.598 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.5 pp -77.57 15.97 0.72 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -130.54 -27.83 2.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.57 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 p -145.86 13.06 1.3 Allowed 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.423 ' HB2' ' CA ' ' A' ' 5' ' ' GLY . 95.7 mt -147.55 11.78 1.0 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 0.0 111.37 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.547 ' HG ' ' HA ' ' A' ' 6' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.192 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 1.8 t30 -133.87 -12.14 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.065 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.565 ' O ' ' N ' ' A' ' 5' ' ' GLY . 38.8 p-90 -34.33 -72.22 0.05 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.345 -178.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.482 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.3 m 24.35 39.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.655 0.597 . . . . 0.0 111.079 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -167.58 29.0 0.17 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.796 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.548 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.3 pp -116.48 17.04 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.344 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -136.59 -47.91 0.62 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.201 -178.787 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.407 HG23 ' CD2' ' A' ' 7' ' ' TYR . 69.2 p -114.14 11.48 17.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 111.501 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.463 HD11 ' HA2' ' A' ' 5' ' ' GLY . 68.3 mt -137.82 -59.99 0.65 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.554 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 4.5 mp . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.181 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.909 0.385 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.489 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 2.0 t30 -110.81 -9.16 14.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.025 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.582 ' O ' ' N ' ' A' ' 5' ' ' GLY . 47.7 p-90 -33.44 -67.63 0.12 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.19 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.505 ' C ' ' O ' ' A' ' 3' ' ' TRP . 6.0 m 19.89 44.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.928 0.767 . . . . 0.0 111.166 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.588 ' HA2' ' HB2' ' A' ' 9' ' ' LEU . . . -174.11 26.17 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.541 -0.837 . . . . 0.0 113.045 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.552 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.4 pp -112.14 18.88 18.29 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -120.48 -44.05 2.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.425 ' C ' HD22 ' A' ' 9' ' ' LEU . 65.1 p -140.93 5.67 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.588 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 3.6 mm? -127.38 12.5 7.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.54 ' H ' ' CD1' ' A' ' 10' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.627 0.251 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.636 HD22 ' N ' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -90.87 126.94 36.19 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.219 0.533 . . . . 0.0 110.839 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.636 ' N ' HD22 ' A' ' 2' ' ' ASN . 39.3 p-90 -166.17 -59.43 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.878 179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.536 ' C ' ' O ' ' A' ' 3' ' ' TRP . 9.7 m 13.57 56.3 0.0 OUTLIER 'General case' 0 C--O 1.232 0.165 0 O-C-N 124.355 1.034 . . . . 0.0 111.356 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -171.21 -20.47 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.625 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 10' ' ' LEU . 2.9 pp -67.17 18.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -136.24 -25.1 1.21 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.5 p -143.95 8.55 1.47 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 111.4 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 98.3 mt -151.0 12.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.978 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.581 ' CD2' ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.765 0.317 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' TRP . 1.1 t30 -115.56 -18.29 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.027 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.576 ' O ' ' N ' ' A' ' 5' ' ' GLY . 37.3 p-90 -34.51 -71.8 0.06 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.34 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.2 m 24.95 38.58 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.663 0.602 . . . . 0.0 110.971 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -170.01 30.23 0.14 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.939 -178.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.528 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -114.21 23.69 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.998 0.428 . . . . 0.0 111.827 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -130.35 -41.58 1.23 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.98 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.4 p -136.94 9.63 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.426 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 90.8 mt -142.77 22.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.023 -179.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.254 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.753 0.311 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.476 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 1.9 t30 -140.14 -11.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.307 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' GLY . 49.0 p-90 -33.36 -66.24 0.15 Allowed 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 123.09 0.244 . . . . 0.0 111.083 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.508 ' C ' ' O ' ' A' ' 3' ' ' TRP . 4.8 m 17.87 46.07 0.0 OUTLIER 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.968 0.793 . . . . 0.0 111.469 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -175.87 24.31 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.993 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.547 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.5 pp -107.0 21.98 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.203 0.525 . . . . 0.0 110.645 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.622 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -143.39 -42.32 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.387 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.9 p -118.34 16.71 13.92 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 mt -150.42 -46.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.8 mt . . . . . 0 C--N 1.315 -0.918 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.424 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.72 0.295 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 1.0 OUTLIER -109.99 -19.45 13.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.571 ' O ' ' N ' ' A' ' 5' ' ' GLY . 40.0 p-90 -34.52 -70.8 0.07 Allowed 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.3 0.375 . . . . 0.0 111.354 -178.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.5 m 23.64 40.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.737 0.648 . . . . 0.0 111.021 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -172.72 29.54 0.1 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.0 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.571 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 pp -111.64 20.07 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.007 0.432 . . . . 0.0 111.751 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -125.76 -39.35 2.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -143.0 14.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.371 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -143.09 11.9 1.79 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.571 ' HG ' ' HA ' ' A' ' 6' ' ' LEU . 5.3 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.694 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.479 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 1.8 t30 -130.37 -11.35 4.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.003 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.559 ' O ' ' N ' ' A' ' 5' ' ' GLY . 42.2 p-90 -33.23 -68.19 0.11 Allowed 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 123.292 0.37 . . . . 0.0 111.227 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.485 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.0 m 20.26 44.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 O-C-N 123.878 0.736 . . . . 0.0 111.459 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -169.02 19.67 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.087 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.545 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.5 pp -107.26 18.87 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.633 -0.334 . . . . 0.0 111.433 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -139.25 -52.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -178.664 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.8 p -114.27 18.82 16.76 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.9 mt -142.15 -57.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.948 0.404 . . . . 0.0 111.558 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.974 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.346 . . . . 0.0 111.074 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.459 HD21 ' N ' ' A' ' 3' ' ' TRP . 1.2 t-20 -100.3 124.79 46.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.271 0.558 . . . . 0.0 111.051 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.539 ' O ' ' N ' ' A' ' 5' ' ' GLY . 29.9 p-90 -164.47 -68.09 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.847 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 m 22.23 42.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 O-C-N 124.022 0.826 . . . . 0.0 111.176 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -170.29 21.88 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.481 -0.866 . . . . 0.0 113.162 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.524 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.0 pp -107.11 22.24 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 110.703 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -147.14 -37.11 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.219 -178.686 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.5 p -120.83 15.03 11.73 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.1 mt -151.02 -44.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.5 0.667 . . . . 0.0 110.759 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.9 mt . . . . . 0 C--N 1.314 -0.951 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.581 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -92.64 94.37 8.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.608 HD21 ' N ' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -97.29 123.31 41.06 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.248 0.547 . . . . 0.0 110.662 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.608 ' N ' HD21 ' A' ' 2' ' ' ASN . 26.8 p-90 -163.2 -69.38 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.094 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.0 m 23.63 41.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.913 0.758 . . . . 0.0 111.191 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -166.03 19.52 0.1 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.105 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.525 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.4 pp -107.1 18.75 21.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.609 -0.348 . . . . 0.0 111.559 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -139.16 -52.0 0.54 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.3 p -113.85 18.2 17.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.542 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 80.7 mt -141.9 -57.85 0.47 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.986 0.422 . . . . 0.0 111.521 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 4.9 mp 40.95 -86.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.927 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 9' ' ' LEU . 57.8 m -70.46 3.51 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 0.0 110.986 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HD3' ' HA ' ' A' ' 9' ' ' LEU . 67.2 mtp180 -110.07 13.41 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.504 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 5' ' ' GLY . 2.4 t -115.03 84.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.013 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.562 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.8 OUTLIER -53.24 103.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.14 111.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.8 m80 58.67 -173.1 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.3 m -85.91 -176.45 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.9 m -62.91 139.47 58.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.5 153.48 35.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.7 tt -143.13 143.36 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.07 -52.8 49.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.833 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -148.45 124.76 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.976 . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 3.2 t30 -126.56 5.87 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.566 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.6 p-90 -48.63 -24.68 1.43 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.741 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' TRP . 29.0 m -33.35 88.76 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.973 0.796 . . . . 0.0 110.622 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 140.06 4.39 1.33 Allowed Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.923 -178.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.525 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -79.39 17.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.101 0.477 . . . . 0.0 111.683 -179.351 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -128.28 -31.65 2.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.611 -179.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.8 p -144.78 11.25 1.41 Allowed 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.491 HD22 ' HD2' ' A' ' 12' ' ' ARG . 78.0 mt -144.13 13.81 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.181 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.558 ' H ' ' CD1' ' A' ' 10' ' ' LEU . 5.1 mp -41.63 -70.91 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.249 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -67.39 -9.99 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.081 0.467 . . . . 0.0 110.425 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.491 ' HD2' HD22 ' A' ' 9' ' ' LEU . 98.8 mtt180 -99.88 10.5 41.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.731 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.446 HG21 ' HB3' ' A' ' 9' ' ' LEU . 71.8 t -144.65 102.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.665 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.407 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -49.0 96.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -56.39 -61.55 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.025 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -78.36 123.49 27.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 t -102.65 -62.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 t -125.0 161.13 27.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.08 164.99 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.401 ' O ' HG12 ' A' ' 20' ' ' ILE . 16.3 tt -136.12 16.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.233 0.54 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.87 -111.12 3.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.489 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.287 -0.864 . . . . 0.0 110.918 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -83.13 105.19 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.51 20.74 15.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.532 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.608 ' O ' ' N ' ' A' ' 5' ' ' GLY . 69.3 p-90 -68.56 -18.55 64.37 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.137 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.3 m -38.58 84.55 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 124.148 0.905 . . . . 0.0 111.171 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 163.04 -22.06 0.18 Allowed Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.727 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.578 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -62.78 12.98 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -135.84 -34.51 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.034 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.6 p -122.68 15.11 10.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.945 0.403 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.581 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 93.1 mt -142.81 -62.97 0.42 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.234 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.513 HD11 ' O ' ' A' ' 5' ' ' GLY . 4.4 mp 45.55 -87.02 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.61 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 9' ' ' LEU . 80.3 p -70.74 0.53 6.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.819 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.581 ' HD3' ' HA ' ' A' ' 9' ' ' LEU . 71.0 mtp180 -106.7 11.33 30.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.672 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 t -108.56 67.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.145 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.569 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.8 OUTLIER 50.96 -92.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.164 -179.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -175.66 118.94 0.16 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.927 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -142.85 -21.12 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -64.88 146.71 54.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -129.96 -26.28 2.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.66 118.32 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.4 tt -77.29 139.37 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.11 -155.84 6.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.834 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt -69.2 106.28 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.658 0.266 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.5 HD22 ' N ' ' A' ' 3' ' ' TRP . 1.1 t-20 -92.21 125.85 37.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.324 0.583 . . . . 0.0 111.292 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.57 ' O ' ' N ' ' A' ' 5' ' ' GLY . 24.8 p-90 -164.22 -70.76 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.869 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 t 29.45 30.82 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 123.719 0.637 . . . . 0.0 111.817 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.574 ' HA3' HG21 ' A' ' 13' ' ' VAL . . . -165.3 30.43 0.22 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.514 -0.851 . . . . 0.0 113.342 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.511 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -109.87 25.45 11.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.983 0.42 . . . . 0.0 111.71 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.637 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -131.04 -35.78 1.37 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.963 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -141.82 9.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.436 HD22 ' HD2' ' A' ' 12' ' ' ARG . 66.9 mt -141.31 19.57 2.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.899 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -39.35 -77.25 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.489 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.9 p -67.27 -8.02 28.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 110.38 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.436 ' HD2' HD22 ' A' ' 9' ' ' LEU . 99.6 mtt180 -95.5 7.51 46.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.754 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.574 HG21 ' HA3' ' A' ' 5' ' ' GLY . 77.9 t -145.57 101.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.721 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.564 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -49.12 101.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.645 179.682 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -55.1 -66.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.052 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -113.92 -5.6 13.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.9 m 59.78 100.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.5 t -124.27 -28.23 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -157.91 118.58 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.9 pt -91.62 158.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.77 132.68 7.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.552 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' HD2' ' N ' ' A' ' 22' ' ' ARG . 9.1 mpt_? . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.188 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -95.38 107.17 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.73 0.3 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 3' ' ' TRP . 0.5 OUTLIER -118.28 -5.03 10.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.729 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.551 ' O ' ' N ' ' A' ' 5' ' ' GLY . 35.4 p-90 -34.54 -71.45 0.07 Allowed 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.513 0.508 . . . . 0.0 111.429 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.6 m 25.31 39.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.633 0.583 . . . . 0.0 110.929 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.635 ' HA3' HG23 ' A' ' 13' ' ' VAL . . . -170.44 27.54 0.11 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.167 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.8 pp -111.17 24.95 12.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.945 0.402 . . . . 0.0 111.859 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.631 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -130.12 -39.52 1.36 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.143 179.682 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -139.32 10.5 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.499 ' HB3' HG21 ' A' ' 13' ' ' VAL . 67.0 mt -141.98 19.26 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -38.52 -77.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.466 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.7 p -68.98 -7.09 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.408 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HD3' HD23 ' A' ' 9' ' ' LEU . 68.0 mtp180 -95.09 8.99 41.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.75 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.635 HG23 ' HA3' ' A' ' 5' ' ' GLY . 73.8 t -145.38 100.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.794 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.57 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.8 OUTLIER -52.15 96.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.458 179.554 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.31 -176.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.048 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -130.7 154.7 47.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 t -78.92 113.75 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.6 m -124.39 109.41 13.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.72 -173.34 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.3 mt -124.01 121.01 61.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.14 169.88 28.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.868 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt -94.22 104.63 16.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.577 0.227 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.459 HD21 ' N ' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -93.67 118.63 31.64 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.405 0.622 . . . . 0.0 110.87 179.293 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 5' ' ' GLY . 21.1 p-90 -167.36 -72.76 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.849 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 t 29.79 30.43 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 123.81 0.694 . . . . 0.0 111.407 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.598 ' HA3' HG21 ' A' ' 13' ' ' VAL . . . -163.91 32.0 0.27 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.205 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.523 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 pp -113.61 20.35 16.04 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.622 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -126.43 -39.21 2.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.125 -179.836 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.3 p -141.56 11.19 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.541 HD23 ' HD3' ' A' ' 12' ' ' ARG . 69.3 mt -141.16 15.04 2.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.129 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.536 ' H ' ' CD1' ' A' ' 10' ' ' LEU . 5.3 mp -42.16 -71.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.219 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.6 t -68.19 -8.83 42.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.406 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' HD3' HD23 ' A' ' 9' ' ' LEU . 68.8 mtp180 -100.43 10.09 41.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.741 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.598 HG21 ' HA3' ' A' ' 5' ' ' GLY . 77.7 t -145.5 102.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.655 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -47.3 100.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -59.17 -34.09 71.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.077 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -97.79 176.63 5.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.9 m 60.6 101.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.083 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.4 p -67.12 -46.54 73.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.242 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.23 21.55 8.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.216 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.73 114.16 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.73 90.67 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.429 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.91 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -91.31 107.04 18.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.69 0.281 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.26 21.21 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.586 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.0 p-90 -74.38 -8.16 55.32 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.507 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 m -50.44 82.73 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 123.741 0.651 . . . . 0.0 110.251 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 156.03 24.54 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.786 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.586 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.9 pp -114.29 14.17 17.99 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.966 0.413 . . . . 0.0 110.635 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.625 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -136.18 -52.39 0.72 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.441 -178.117 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.9 p -106.12 -4.74 20.01 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 12' ' ' ARG . 4.0 mm? -124.39 -50.75 1.76 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.19 0.519 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mt 65.19 -68.74 0.11 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.928 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.1 p -59.6 -10.49 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 78.6 ttt180 -82.14 1.28 36.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.261 0.553 . . . . 0.0 110.694 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -145.15 101.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.802 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -53.85 94.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.676 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -61.94 123.43 18.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -80.72 143.5 32.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p 50.56 -166.17 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.203 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 t -104.3 -26.34 12.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.99 177.53 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 tt -94.4 140.21 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.2 -70.12 1.32 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.442 -0.79 . . . . 0.0 111.059 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -97.24 23.04 7.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.659 0.266 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 2.4 t30 -71.46 -2.58 17.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.578 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.6 p-90 -46.49 -26.43 0.86 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.91 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 3' ' ' TRP . 26.5 m -32.53 87.7 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 124.112 0.883 . . . . 0.0 110.587 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 142.0 1.3 1.35 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.809 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.538 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -76.37 17.97 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.0 112.086 -179.318 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -128.35 -32.98 2.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.675 -179.425 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.9 p -143.67 9.09 1.55 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.741 0.305 . . . . 0.0 111.695 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 79.5 mt -144.07 17.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.261 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.553 ' H ' ' CD1' ' A' ' 10' ' ' LEU . 5.2 mp -42.17 -65.76 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.369 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -78.64 24.68 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.268 0.556 . . . . 0.0 109.945 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.508 ' H ' ' C ' ' A' ' 10' ' ' LEU . 97.8 mtt180 -136.41 6.88 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.793 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 9' ' ' LEU . 23.0 t -80.69 -5.16 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 54.55 89.18 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.927 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -99.27 -60.81 1.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.028 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -87.07 12.38 11.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -60.01 130.66 47.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.1 m 60.23 98.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.47 160.17 15.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.0 132.76 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.27 -154.7 25.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.93 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -95.75 124.48 39.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 3.2 t30 -121.25 6.81 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.57 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.2 p-90 -50.49 -21.27 1.42 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.708 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' TRP . 28.7 m -36.57 89.13 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.885 0.741 . . . . 0.0 110.276 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 135.13 27.94 0.45 Allowed Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.303 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -106.6 15.01 26.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.298 0.57 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.602 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -129.81 -56.73 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.712 -177.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.1 p -112.27 19.6 17.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 12' ' ' ARG . 67.2 mt -141.82 -57.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.915 0.388 . . . . 0.0 111.524 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 4.7 mp 40.62 -86.81 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.962 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 9' ' ' LEU . 40.2 t -67.16 -0.05 3.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.812 0.339 . . . . 0.0 111.057 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.563 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 70.5 mtp180 -107.85 15.63 24.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.488 HG22 ' HA3' ' A' ' 5' ' ' GLY . 13.1 t -123.51 88.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.177 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.418 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -54.97 97.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 179.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -54.39 -36.05 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.11 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -99.17 -81.17 0.46 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.019 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -157.65 -77.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.0 m -157.85 -70.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.02 -179.44 6.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.7 mt -107.24 135.03 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.18 123.81 1.77 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.878 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.444 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -143.64 120.12 11.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.886 0.374 . . . . 0.0 111.009 . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.74 23.22 6.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.521 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.602 ' HE3' ' HG ' ' A' ' 6' ' ' LEU . 67.5 p-90 -64.69 -22.5 66.99 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.154 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' TRP . 51.3 m -33.38 86.25 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 124.289 0.993 . . . . 0.0 111.182 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 154.89 -6.64 0.29 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.933 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.602 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.3 pp -76.61 15.61 0.61 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.166 0.483 . . . . 0.0 111.925 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -133.78 -23.97 1.76 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.838 -179.355 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.412 ' HG1' ' HG ' ' A' ' 9' ' ' LEU . 50.8 p -144.22 4.54 1.24 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 64.2 mt -141.02 9.01 2.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.696 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -53.04 142.21 20.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.255 179.409 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 t 60.83 8.97 2.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.357 0.598 . . . . 0.0 109.495 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 57.9 ttt180 -133.4 -5.32 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.16 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.3 t -71.47 -6.68 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.227 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 54.73 22.93 4.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.926 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -68.18 -69.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.9 m80 59.92 -168.43 0.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -57.29 135.13 56.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 t -81.36 154.47 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.203 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.16 124.51 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 tp -147.74 138.78 17.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.52 21.93 65.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 4.2 mmp_? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -88.13 108.33 19.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.653 0.263 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.7 22.04 13.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.561 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.585 ' HE3' ' HG ' ' A' ' 6' ' ' LEU . 70.1 p-90 -72.58 -9.33 58.45 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.389 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.7 m -48.23 84.39 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.747 0.654 . . . . 0.0 110.503 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.656 ' HA3' ' HB2' ' A' ' 12' ' ' ARG . . . 155.29 18.5 0.04 OUTLIER Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.089 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.585 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.9 pp -107.15 15.69 24.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.115 0.483 . . . . 0.0 110.505 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -138.99 -52.35 0.56 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.566 -178.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.9 p -110.94 24.3 13.1 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' A' ' 11' ' ' SER . 0.1 OUTLIER -153.24 -53.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.553 0.692 . . . . 0.0 110.453 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 10' ' ' LEU . 4.1 mt 58.24 2.79 0.21 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.209 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.552 ' HB3' HD12 ' A' ' 9' ' ' LEU . 35.1 t -109.81 3.6 20.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.656 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 99.7 mtt180 -111.34 4.2 18.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.605 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.67 HG12 ' H ' ' A' ' 15' ' ' ARG . 11.3 p -109.55 -5.94 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.054 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.578 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER 57.16 12.87 1.42 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.351 -179.31 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.67 ' H ' HG12 ' A' ' 13' ' ' VAL . 99.0 mtt180 57.55 -178.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.147 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.2 m80 57.2 -172.88 0.08 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.217 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -107.99 120.14 41.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -130.32 -21.15 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.83 177.8 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.7 mt -86.27 112.77 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.16 -93.3 2.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.882 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HG3' ' HD1' ' A' ' 3' ' ' TRP . 12.4 tpt -79.67 101.44 8.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.601 0.238 . . . . 0.0 110.733 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.476 ' ND2' ' N ' ' A' ' 3' ' ' TRP . 1.9 t-20 -88.14 133.18 34.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.287 0.565 . . . . 0.0 111.27 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.598 ' HE3' ' HG ' ' A' ' 6' ' ' LEU . 64.8 p-90 -178.64 -31.19 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.213 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' TRP . 40.8 m -24.38 83.92 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 124.473 1.108 . . . . 0.0 111.269 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 159.42 -8.36 0.15 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.852 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.598 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.5 pp -77.57 15.97 0.72 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -130.54 -27.83 2.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.57 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 p -145.86 13.06 1.3 Allowed 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.551 ' HA ' ' HB2' ' A' ' 12' ' ' ARG . 95.7 mt -147.55 11.78 1.0 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 0.0 111.37 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.547 ' HG ' ' HA ' ' A' ' 6' ' ' LEU . 5.1 mp -40.71 -72.03 0.07 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.192 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -78.64 0.09 27.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.383 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.551 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 57.2 mtp180 -105.39 15.8 26.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 10' ' ' LEU . 3.9 m -66.05 -119.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.528 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.459 ' HB2' ' HB2' ' A' ' 17' ' ' SER . 33.2 m-80 57.39 25.87 11.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 64.4 -81.78 0.03 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -81.82 -72.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 14' ' ' ASN . 35.8 t 59.67 13.23 3.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.5 t -102.69 -28.29 12.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.3 115.56 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.4 pt -69.41 149.54 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.73 -113.05 4.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.071 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -94.28 115.73 28.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 1.8 t30 -133.87 -12.14 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.065 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.565 ' O ' ' N ' ' A' ' 5' ' ' GLY . 38.8 p-90 -34.33 -72.22 0.05 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.345 -178.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.482 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.3 m 24.35 39.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.655 0.597 . . . . 0.0 111.079 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -167.58 29.0 0.17 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.796 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.548 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.3 pp -116.48 17.04 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.344 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -136.59 -47.91 0.62 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.201 -178.787 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.407 HG23 ' CD2' ' A' ' 7' ' ' TYR . 69.2 p -114.14 11.48 17.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 111.501 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' SER . 68.3 mt -137.82 -59.99 0.65 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.554 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 4.5 mp 45.35 -86.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.181 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' LEU . 52.9 m -88.42 20.36 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.075 0.464 . . . . 0.0 110.044 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HD3' HD21 ' A' ' 9' ' ' LEU . 75.3 ttt180 -129.21 4.53 5.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.537 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.598 HG11 ' H ' ' A' ' 15' ' ' ARG . 13.6 p -88.08 -3.3 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.112 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 58.14 12.14 1.77 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.464 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.598 ' H ' HG11 ' A' ' 13' ' ' VAL . 29.5 mmm180 57.75 -85.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.255 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -137.29 149.14 46.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.354 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -144.6 125.13 13.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -75.99 -11.47 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.7 106.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.259 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.1 pt -85.64 19.75 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.41 -37.56 0.27 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.498 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.955 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 58.67 97.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.489 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 2.0 t30 -110.81 -9.16 14.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.025 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.582 ' O ' ' N ' ' A' ' 5' ' ' GLY . 47.7 p-90 -33.44 -67.63 0.12 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.19 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.505 ' C ' ' O ' ' A' ' 3' ' ' TRP . 6.0 m 19.89 44.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.928 0.767 . . . . 0.0 111.166 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.588 ' HA2' ' HB2' ' A' ' 9' ' ' LEU . . . -174.11 26.17 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.541 -0.837 . . . . 0.0 113.045 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.552 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.4 pp -112.14 18.88 18.29 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -120.48 -44.05 2.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.425 ' C ' HD22 ' A' ' 9' ' ' LEU . 65.1 p -140.93 5.67 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.588 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 3.6 mm? -127.38 12.5 7.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.54 ' H ' ' CD1' ' A' ' 10' ' ' LEU . 5.1 mp -43.69 -64.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 179.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -85.95 14.39 6.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.12 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.519 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 98.0 mtt180 -127.17 9.34 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.114 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.625 HG13 ' H ' ' A' ' 15' ' ' ARG . 12.4 p -111.25 -9.31 11.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.081 0.467 . . . . 0.0 111.283 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.569 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.8 OUTLIER 53.95 16.59 1.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.543 -179.283 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.625 ' H ' HG13 ' A' ' 13' ' ' VAL . 67.0 mtp180 56.87 -173.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.031 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m80 58.14 -172.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 19' ' ' ALA . 47.2 t -109.91 95.99 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.6 m 68.22 -9.42 0.5 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.435 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.481 ' H ' ' C ' ' A' ' 17' ' ' SER . . . 58.98 179.69 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.318 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.7 mt 64.7 129.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.401 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.69 -161.29 21.15 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.441 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.019 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt 60.4 101.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.164 0.29 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.636 HD22 ' N ' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -90.87 126.94 36.19 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.219 0.533 . . . . 0.0 110.839 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.636 ' N ' HD22 ' A' ' 2' ' ' ASN . 39.3 p-90 -166.17 -59.43 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.878 179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.536 ' C ' ' O ' ' A' ' 3' ' ' TRP . 9.7 m 13.57 56.3 0.0 OUTLIER 'General case' 0 C--O 1.232 0.165 0 O-C-N 124.355 1.034 . . . . 0.0 111.356 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -171.21 -20.47 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.625 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.55 ' HA ' ' HB3' ' A' ' 10' ' ' LEU . 2.9 pp -67.17 18.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -136.24 -25.1 1.21 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.5 p -143.95 8.55 1.47 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 111.4 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.454 HD21 ' HD2' ' A' ' 12' ' ' ARG . 98.3 mt -151.0 12.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.978 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.581 ' CD2' ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -56.96 -44.59 82.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -88.99 14.41 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HD2' HD21 ' A' ' 9' ' ' LEU . 97.5 mtt180 -135.28 12.03 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.034 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.499 ' C ' ' H ' ' A' ' 15' ' ' ARG . 3.1 p -112.63 89.55 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.422 0.63 . . . . 0.0 111.639 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -71.21 6.3 1.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.673 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.499 ' H ' ' C ' ' A' ' 13' ' ' VAL . 83.0 mtm180 63.56 -176.68 0.15 Allowed 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.051 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -96.82 147.82 23.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 m -67.68 167.61 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -78.01 148.26 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.28 141.64 28.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.6 tt -90.5 140.69 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.28 104.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.019 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt -78.78 103.47 8.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.765 0.317 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' TRP . 1.1 t30 -115.56 -18.29 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.027 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.576 ' O ' ' N ' ' A' ' 5' ' ' GLY . 37.3 p-90 -34.51 -71.8 0.06 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.34 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.2 m 24.95 38.58 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.663 0.602 . . . . 0.0 110.971 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -170.01 30.23 0.14 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.939 -178.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.528 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -114.21 23.69 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.998 0.428 . . . . 0.0 111.827 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -130.35 -41.58 1.23 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.98 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.4 p -136.94 9.63 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HA ' ' HB2' ' A' ' 12' ' ' ARG . 90.8 mt -142.77 22.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.023 -179.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -39.04 -76.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.254 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -73.34 -1.18 17.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 0.0 110.193 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.491 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 98.3 mtt180 -103.72 12.78 34.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.804 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.519 HG12 ' H ' ' A' ' 15' ' ' ARG . 7.3 p -85.05 0.64 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.308 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.579 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER 56.56 17.71 3.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.539 -179.4 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.519 ' H ' HG12 ' A' ' 13' ' ' VAL . 15.4 ptp180 41.72 -159.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.693 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -76.17 131.1 39.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.3 m -142.13 169.91 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.9 m -103.23 130.0 50.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.81 115.86 30.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' N ' HD11 ' A' ' 20' ' ' ILE . 3.8 mp -92.21 126.29 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.62 77.98 1.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.911 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -72.26 149.68 44.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.753 0.311 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.476 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 1.9 t30 -140.14 -11.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.307 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' GLY . 49.0 p-90 -33.36 -66.24 0.15 Allowed 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 123.09 0.244 . . . . 0.0 111.083 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.508 ' C ' ' O ' ' A' ' 3' ' ' TRP . 4.8 m 17.87 46.07 0.0 OUTLIER 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.968 0.793 . . . . 0.0 111.469 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.66 ' HA3' ' HB2' ' A' ' 12' ' ' ARG . . . -175.87 24.31 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.993 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.547 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.5 pp -107.0 21.98 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.203 0.525 . . . . 0.0 110.645 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.622 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -143.39 -42.32 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.387 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.9 p -118.34 16.71 13.92 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 mt -150.42 -46.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.493 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.8 mt 54.74 12.58 0.59 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.424 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -110.25 -5.24 15.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.66 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 96.1 mtt180 -101.59 4.94 41.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.461 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.7 t -94.54 -134.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.591 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.444 HD22 ' C ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -118.09 3.58 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.38 162.99 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -148.94 143.19 26.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.004 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.3 t -108.31 139.67 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.4 m -75.34 110.64 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.066 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.06 126.39 40.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 tp -96.11 139.66 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.05 134.96 12.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.375 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.906 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt -135.58 106.75 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 1.0 OUTLIER -109.99 -19.45 13.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.571 ' O ' ' N ' ' A' ' 5' ' ' GLY . 40.0 p-90 -34.52 -70.8 0.07 Allowed 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.3 0.375 . . . . 0.0 111.354 -178.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.5 m 23.64 40.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.737 0.648 . . . . 0.0 111.021 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -172.72 29.54 0.1 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.0 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.571 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 pp -111.64 20.07 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.007 0.432 . . . . 0.0 111.751 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -125.76 -39.35 2.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -143.0 14.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.371 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.507 ' HB3' HG12 ' A' ' 13' ' ' VAL . 90.0 mt -143.09 11.9 1.79 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.571 ' HG ' ' HA ' ' A' ' 6' ' ' LEU . 5.3 mp -40.86 -71.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.694 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.4 t -82.38 16.12 2.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.694 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.462 ' HD3' HD23 ' A' ' 9' ' ' LEU . 76.6 mtp180 -113.94 -6.39 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.46 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.507 HG12 ' HB3' ' A' ' 9' ' ' LEU . 16.4 m -107.46 -134.31 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.688 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -128.14 -38.02 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.755 0.312 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 61.78 108.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.221 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 -158.83 141.18 14.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.3 m -118.71 -11.0 9.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.7 m 60.17 99.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.236 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.3 121.22 13.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.5 mt -90.23 115.14 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.03 -111.32 0.48 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.826 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -96.39 114.58 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.479 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 1.8 t30 -130.37 -11.35 4.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.003 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.559 ' O ' ' N ' ' A' ' 5' ' ' GLY . 42.2 p-90 -33.23 -68.19 0.11 Allowed 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 123.292 0.37 . . . . 0.0 111.227 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.485 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.0 m 20.26 44.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 O-C-N 123.878 0.736 . . . . 0.0 111.459 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -169.02 19.67 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.087 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.545 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.5 pp -107.26 18.87 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.633 -0.334 . . . . 0.0 111.433 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -139.25 -52.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -178.664 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.8 p -114.27 18.82 16.76 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.586 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 80.9 mt -142.15 -57.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.948 0.404 . . . . 0.0 111.558 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 5.1 mp 40.89 -84.91 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.974 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 9' ' ' LEU . 79.8 p -75.4 8.8 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.983 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.586 ' HD2' ' HA ' ' A' ' 9' ' ' LEU . 96.5 mtt180 -113.84 9.58 17.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 5' ' ' GLY . 2.0 t -105.2 -131.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.68 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.463 HD21 ' N ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -78.91 -2.54 40.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.259 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' N ' HD21 ' A' ' 14' ' ' ASN . 29.8 tpt180 63.85 151.94 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -77.89 111.29 13.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -94.83 -25.98 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 20' ' ' ILE . 32.0 m 61.48 -86.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 55.16 22.5 4.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.344 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.617 ' H ' HG22 ' A' ' 18' ' ' THR . 7.9 tp -134.67 141.86 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.034 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.67 91.85 0.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.921 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -139.49 90.29 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.346 . . . . 0.0 111.074 . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.459 HD21 ' N ' ' A' ' 3' ' ' TRP . 1.2 t-20 -100.3 124.79 46.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.271 0.558 . . . . 0.0 111.051 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.539 ' O ' ' N ' ' A' ' 5' ' ' GLY . 29.9 p-90 -164.47 -68.09 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.847 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 m 22.23 42.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 O-C-N 124.022 0.826 . . . . 0.0 111.176 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.664 ' HA3' ' HB2' ' A' ' 12' ' ' ARG . . . -170.29 21.88 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.481 -0.866 . . . . 0.0 113.162 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.524 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.0 pp -107.11 22.24 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 110.703 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -147.14 -37.11 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.219 -178.686 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.5 p -120.83 15.03 11.73 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.1 mt -151.02 -44.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.5 0.667 . . . . 0.0 110.759 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.5 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.9 mt 54.24 13.66 0.64 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.581 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -112.58 0.95 15.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.664 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 94.6 mtt180 -112.81 2.42 15.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.602 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.457 ' C ' ' H ' ' A' ' 15' ' ' ARG . 2.5 p -116.86 93.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.367 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.577 ' N ' HD21 ' A' ' 14' ' ' ASN . 0.1 OUTLIER -62.98 -3.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.084 178.779 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.457 ' H ' ' C ' ' A' ' 13' ' ' VAL . 99.2 mtt180 65.95 163.57 0.17 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.122 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 m80 58.28 96.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.054 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -107.92 131.88 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -162.9 149.05 12.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.243 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.2 100.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.34 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.0 mt -96.11 131.07 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.31 -145.41 4.56 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.581 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.966 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptt? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.863 0.363 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -97.29 123.31 41.06 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.248 0.547 . . . . 0.0 110.662 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.545 ' O ' ' N ' ' A' ' 5' ' ' GLY . 26.8 p-90 -163.2 -69.38 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.094 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.0 m 23.63 41.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.913 0.758 . . . . 0.0 111.191 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -166.03 19.52 0.1 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.105 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.532 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.4 pp -107.1 18.75 21.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.609 -0.348 . . . . 0.0 111.559 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -139.16 -52.0 0.54 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.45 HG23 ' CD2' ' A' ' 7' ' ' TYR . 75.3 p -113.85 18.2 17.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.467 ' H ' HD12 ' A' ' 10' ' ' LEU . 80.7 mt -141.9 -57.85 0.47 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.986 0.422 . . . . 0.0 111.521 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.9 mp . . . . . 0 C--N 1.318 -0.779 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.927 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.853 0.359 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -126.56 5.87 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.681 ' HE3' HD22 ' A' ' 6' ' ' LEU . 70.6 p-90 -48.63 -24.68 1.43 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.741 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' TRP . 29.0 m -33.35 88.76 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.973 0.796 . . . . 0.0 110.622 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 140.06 4.39 1.33 Allowed Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.923 -178.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.681 HD22 ' HE3' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -79.39 17.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.101 0.477 . . . . 0.0 111.683 -179.351 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -128.28 -31.65 2.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.611 -179.522 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.8 p -144.78 11.25 1.41 Allowed 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' HB2' ' CA ' ' A' ' 5' ' ' GLY . 78.0 mt -144.13 13.81 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.181 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.859 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.249 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.745 0.307 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -114.51 20.74 15.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.532 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.608 ' O ' ' N ' ' A' ' 5' ' ' GLY . 69.3 p-90 -68.56 -18.55 64.37 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.137 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.3 m -38.58 84.55 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 124.148 0.905 . . . . 0.0 111.171 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 163.04 -22.06 0.18 Allowed Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.727 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.57 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -62.78 12.98 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -135.84 -34.51 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.034 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.481 HG23 ' CD2' ' A' ' 7' ' ' TYR . 69.6 p -122.68 15.11 10.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.945 0.403 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.571 ' H ' HD12 ' A' ' 10' ' ' LEU . 93.1 mt -142.81 -62.97 0.42 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.234 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.617 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.4 mp . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.61 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.658 0.266 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -92.21 125.85 37.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.324 0.583 . . . . 0.0 111.292 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.57 ' O ' ' N ' ' A' ' 5' ' ' GLY . 24.8 p-90 -164.22 -70.76 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.869 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 t 29.45 30.82 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 123.719 0.637 . . . . 0.0 111.817 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -165.3 30.43 0.22 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.514 -0.851 . . . . 0.0 113.342 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.52 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -109.87 25.45 11.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.983 0.42 . . . . 0.0 111.71 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.637 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -131.04 -35.78 1.37 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.963 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -141.82 9.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.9 mt -141.31 19.57 2.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.899 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.264 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.489 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.73 0.3 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 3' ' ' TRP . 5.1 p30 -118.28 -5.03 10.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.729 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.551 ' O ' ' N ' ' A' ' 5' ' ' GLY . 35.4 p-90 -34.54 -71.45 0.07 Allowed 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.513 0.508 . . . . 0.0 111.429 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.6 m 25.31 39.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.633 0.583 . . . . 0.0 110.929 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -170.44 27.54 0.11 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.167 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.8 pp -111.17 24.95 12.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.945 0.402 . . . . 0.0 111.859 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.631 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -130.12 -39.52 1.36 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.143 179.682 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -139.32 10.5 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.0 mt -141.98 19.26 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.526 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.466 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.577 0.227 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -93.67 118.63 31.64 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.405 0.622 . . . . 0.0 110.87 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 5' ' ' GLY . 21.1 p-90 -167.36 -72.76 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.849 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 t 29.79 30.43 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 123.81 0.694 . . . . 0.0 111.407 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -163.91 32.0 0.27 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.205 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.551 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 pp -113.61 20.35 16.04 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.622 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -126.43 -39.21 2.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.125 -179.836 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.3 p -141.56 11.19 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.3 mt -141.16 15.04 2.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.129 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.846 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.3 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.219 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.69 0.281 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -114.26 21.21 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.586 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.0 p-90 -74.38 -8.16 55.32 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.507 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.445 HG23 ' OH ' ' A' ' 7' ' ' TYR . 82.3 m -50.44 82.73 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 123.741 0.651 . . . . 0.0 110.251 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 156.03 24.54 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.786 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.578 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.9 pp -114.29 14.17 17.99 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.966 0.413 . . . . 0.0 110.635 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.625 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -136.18 -52.39 0.72 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.441 -178.117 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.493 ' C ' HD22 ' A' ' 9' ' ' LEU . 30.9 p -106.12 -4.74 20.01 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.493 HD22 ' C ' ' A' ' 8' ' ' THR . 4.0 mm? -124.39 -50.75 1.76 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.19 0.519 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 10' ' ' LEU . 6.6 mt . . . . . 0 C--N 1.318 -0.771 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.928 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.659 0.266 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -71.46 -2.58 17.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.683 ' HE3' HD22 ' A' ' 6' ' ' LEU . 70.6 p-90 -46.49 -26.43 0.86 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.91 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 3' ' ' TRP . 26.5 m -32.53 87.7 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 124.112 0.883 . . . . 0.0 110.587 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 142.0 1.3 1.35 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.809 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.683 HD22 ' HE3' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -76.37 17.97 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.0 112.086 -179.318 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -128.35 -32.98 2.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.675 -179.425 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.9 p -143.67 9.09 1.55 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.741 0.305 . . . . 0.0 111.695 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.5 mt -144.07 17.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.261 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.858 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.2 mp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.369 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 24.8 ptt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -121.25 6.81 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.697 ' CE3' HD22 ' A' ' 6' ' ' LEU . 70.2 p-90 -50.49 -21.27 1.42 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.708 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' TRP . 28.7 m -36.57 89.13 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.885 0.741 . . . . 0.0 110.276 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 135.13 27.94 0.45 Allowed Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.303 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.697 HD22 ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -106.6 15.01 26.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.298 0.57 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.602 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -129.81 -56.73 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.712 -177.807 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.1 p -112.27 19.6 17.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.469 ' H ' HD12 ' A' ' 10' ' ' LEU . 67.2 mt -141.82 -57.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.915 0.388 . . . . 0.0 111.524 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.7 mp . . . . . 0 C--N 1.318 -0.791 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.962 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.886 0.374 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -126.74 23.22 6.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.521 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.594 ' HE3' ' HG ' ' A' ' 6' ' ' LEU . 67.5 p-90 -64.69 -22.5 66.99 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.154 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' TRP . 51.3 m -33.38 86.25 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 124.289 0.993 . . . . 0.0 111.182 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 154.89 -6.64 0.29 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.933 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.594 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.3 pp -76.61 15.61 0.61 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.166 0.483 . . . . 0.0 111.925 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -133.78 -23.97 1.76 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.838 -179.355 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.8 p -144.22 4.54 1.24 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' HB2' ' CA ' ' A' ' 5' ' ' GLY . 64.2 mt -141.02 9.01 2.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.696 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.72 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.255 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.653 0.263 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -115.7 22.04 13.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.561 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.1 p-90 -72.58 -9.33 58.45 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.389 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.411 HG23 ' OH ' ' A' ' 7' ' ' TYR . 69.7 m -48.23 84.39 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.747 0.654 . . . . 0.0 110.503 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 155.29 18.5 0.04 OUTLIER Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.089 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.571 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.9 pp -107.15 15.69 24.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.115 0.483 . . . . 0.0 110.505 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -138.99 -52.35 0.56 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.566 -178.332 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.9 p -110.94 24.3 13.1 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.24 -53.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.553 0.692 . . . . 0.0 110.453 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.1 mt . . . . . 0 C--N 1.315 -0.913 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.209 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.441 ' HG3' ' HD1' ' A' ' 3' ' ' TRP . 12.4 tpt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.601 0.238 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -88.14 133.18 34.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.287 0.565 . . . . 0.0 111.27 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.595 ' O ' ' N ' ' A' ' 5' ' ' GLY . 64.8 p-90 -178.64 -31.19 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.213 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' TRP . 40.8 m -24.38 83.92 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 124.473 1.108 . . . . 0.0 111.269 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 159.42 -8.36 0.15 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.852 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.595 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.5 pp -77.57 15.97 0.72 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -130.54 -27.83 2.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.57 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 p -145.86 13.06 1.3 Allowed 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.434 ' HB2' ' CA ' ' A' ' 5' ' ' GLY . 95.7 mt -147.55 11.78 1.0 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 0.0 111.37 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.87 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.192 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 3' ' ' TRP . 18.4 t-20 -133.87 -12.14 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.065 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.565 ' O ' ' N ' ' A' ' 5' ' ' GLY . 38.8 p-90 -34.33 -72.22 0.05 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.345 -178.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.482 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.3 m 24.35 39.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.655 0.597 . . . . 0.0 111.079 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -167.58 29.0 0.17 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.796 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.554 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.3 pp -116.48 17.04 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.344 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -136.59 -47.91 0.62 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.201 -178.787 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.509 HG23 ' CD2' ' A' ' 7' ' ' TYR . 69.2 p -114.14 11.48 17.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 111.501 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.487 HD12 ' HA2' ' A' ' 5' ' ' GLY . 68.3 mt -137.82 -59.99 0.65 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.554 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.632 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.5 mp . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.181 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.909 0.385 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 3' ' ' TRP . 20.8 t-20 -110.81 -9.16 14.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.025 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.582 ' O ' ' N ' ' A' ' 5' ' ' GLY . 47.7 p-90 -33.44 -67.63 0.12 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.19 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.505 ' C ' ' O ' ' A' ' 3' ' ' TRP . 6.0 m 19.89 44.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.928 0.767 . . . . 0.0 111.166 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.612 ' HA2' ' HB2' ' A' ' 9' ' ' LEU . . . -174.11 26.17 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.541 -0.837 . . . . 0.0 113.045 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.562 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.4 pp -112.14 18.88 18.29 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -120.48 -44.05 2.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.509 ' C ' HD22 ' A' ' 9' ' ' LEU . 65.1 p -140.93 5.67 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.612 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 3.6 mm? -127.38 12.5 7.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.864 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.627 0.251 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -90.87 126.94 36.19 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.219 0.533 . . . . 0.0 110.839 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.536 ' O ' ' C ' ' A' ' 4' ' ' THR . 39.3 p-90 -166.17 -59.43 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.878 179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.536 ' C ' ' O ' ' A' ' 3' ' ' TRP . 9.7 m 13.57 56.3 0.0 OUTLIER 'General case' 0 C--O 1.232 0.165 0 O-C-N 124.355 1.034 . . . . 0.0 111.356 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -171.21 -20.47 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.625 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.615 ' C ' HD22 ' A' ' 10' ' ' LEU . 2.9 pp -67.17 18.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -136.24 -25.1 1.21 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.5 p -143.95 8.55 1.47 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 111.4 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 98.3 mt -151.0 12.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.978 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.016 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.765 0.317 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' TRP . 16.6 t-20 -115.56 -18.29 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.027 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.576 ' O ' ' N ' ' A' ' 5' ' ' GLY . 37.3 p-90 -34.51 -71.8 0.06 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.34 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.2 m 24.95 38.58 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.663 0.602 . . . . 0.0 110.971 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -170.01 30.23 0.14 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.939 -178.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.529 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -114.21 23.69 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.998 0.428 . . . . 0.0 111.827 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -130.35 -41.58 1.23 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.98 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.4 p -136.94 9.63 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.444 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 90.8 mt -142.77 22.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.023 -179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.254 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.753 0.311 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' A' ' 3' ' ' TRP . 20.3 t-20 -140.14 -11.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.307 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' GLY . 49.0 p-90 -33.36 -66.24 0.15 Allowed 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 123.09 0.244 . . . . 0.0 111.083 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.508 ' C ' ' O ' ' A' ' 3' ' ' TRP . 4.8 m 17.87 46.07 0.0 OUTLIER 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.968 0.793 . . . . 0.0 111.469 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -175.87 24.31 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.993 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.551 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.5 pp -107.0 21.98 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.203 0.525 . . . . 0.0 110.645 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.622 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -143.39 -42.32 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.387 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.403 HG23 ' CD2' ' A' ' 7' ' ' TYR . 36.9 p -118.34 16.71 13.92 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 mt -150.42 -46.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.486 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.8 mt . . . . . 0 C--N 1.315 -0.918 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.424 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.72 0.295 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' TRP . 16.1 t-20 -109.99 -19.45 13.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.571 ' O ' ' N ' ' A' ' 5' ' ' GLY . 40.0 p-90 -34.52 -70.8 0.07 Allowed 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.3 0.375 . . . . 0.0 111.354 -178.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.5 m 23.64 40.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.737 0.648 . . . . 0.0 111.021 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -172.72 29.54 0.1 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.0 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.597 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 pp -111.64 20.07 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.007 0.432 . . . . 0.0 111.751 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -125.76 -39.35 2.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -143.0 14.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.371 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -143.09 11.9 1.79 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.847 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.3 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.694 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 3' ' ' TRP . 19.6 t-20 -130.37 -11.35 4.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.003 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.559 ' O ' ' N ' ' A' ' 5' ' ' GLY . 42.2 p-90 -33.23 -68.19 0.11 Allowed 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 123.292 0.37 . . . . 0.0 111.227 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.485 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.0 m 20.26 44.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 O-C-N 123.878 0.736 . . . . 0.0 111.459 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -169.02 19.67 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.087 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.552 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.5 pp -107.26 18.87 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.633 -0.334 . . . . 0.0 111.433 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -139.25 -52.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -178.664 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.435 HG23 ' CD2' ' A' ' 7' ' ' TYR . 71.8 p -114.27 18.82 16.76 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 10' ' ' LEU . 80.9 mt -142.15 -57.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.948 0.404 . . . . 0.0 111.558 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.617 ' N ' HD12 ' A' ' 10' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.974 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.346 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -100.3 124.79 46.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.271 0.558 . . . . 0.0 111.051 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.539 ' O ' ' N ' ' A' ' 5' ' ' GLY . 29.9 p-90 -164.47 -68.09 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.847 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 m 22.23 42.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 O-C-N 124.022 0.826 . . . . 0.0 111.176 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -170.29 21.88 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.481 -0.866 . . . . 0.0 113.162 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.522 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.0 pp -107.11 22.24 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 110.703 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -147.14 -37.11 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.219 -178.686 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.417 HG23 ' CD2' ' A' ' 7' ' ' TYR . 35.5 p -120.83 15.03 11.73 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -178.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.1 mt -151.02 -44.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.5 0.667 . . . . 0.0 110.759 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.9 mt . . . . . 0 C--N 1.314 -0.951 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.581 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -92.64 94.37 8.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -97.29 123.31 41.06 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.248 0.547 . . . . 0.0 110.662 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.545 ' O ' ' N ' ' A' ' 5' ' ' GLY . 26.8 p-90 -163.2 -69.38 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.094 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.0 m 23.63 41.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.913 0.758 . . . . 0.0 111.191 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -166.03 19.52 0.1 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.105 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.532 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.4 pp -107.1 18.75 21.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.609 -0.348 . . . . 0.0 111.559 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -139.16 -52.0 0.54 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.45 HG23 ' CD2' ' A' ' 7' ' ' TYR . 75.3 p -113.85 18.2 17.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.564 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 80.7 mt -141.9 -57.85 0.47 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.986 0.422 . . . . 0.0 111.521 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.9 mp 40.95 -86.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.927 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 9' ' ' LEU . 57.8 m -70.46 3.51 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 0.0 110.986 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.564 ' HD3' ' HA ' ' A' ' 9' ' ' LEU . 67.2 mtp180 -110.07 13.41 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.504 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.493 HG21 ' O ' ' A' ' 5' ' ' GLY . 2.4 t -115.03 84.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.013 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -53.24 103.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.14 111.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.8 m80 58.67 -173.1 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.3 m -85.91 -176.45 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.9 m -62.91 139.47 58.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.5 153.48 35.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.7 tt -143.13 143.36 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.07 -52.8 49.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.833 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -148.45 124.76 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.976 . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -126.56 5.87 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.681 ' HE3' HD22 ' A' ' 6' ' ' LEU . 70.6 p-90 -48.63 -24.68 1.43 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.741 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' TRP . 29.0 m -33.35 88.76 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.973 0.796 . . . . 0.0 110.622 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 140.06 4.39 1.33 Allowed Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.923 -178.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.681 HD22 ' HE3' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -79.39 17.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.101 0.477 . . . . 0.0 111.683 -179.351 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -128.28 -31.65 2.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.611 -179.522 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.8 p -144.78 11.25 1.41 Allowed 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.539 HD23 ' HD2' ' A' ' 12' ' ' ARG . 78.0 mt -144.13 13.81 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.181 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.859 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.1 mp -41.63 -70.91 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.249 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -67.39 -9.99 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.081 0.467 . . . . 0.0 110.425 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HD2' HD23 ' A' ' 9' ' ' LEU . 98.8 mtt180 -99.88 10.5 41.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.731 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' HB3' ' A' ' 9' ' ' LEU . 71.8 t -144.65 102.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.665 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -49.0 96.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -56.39 -61.55 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.025 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -78.36 123.49 27.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 t -102.65 -62.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 t -125.0 161.13 27.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.08 164.99 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.421 ' O ' HG12 ' A' ' 20' ' ' ILE . 16.3 tt -136.12 16.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.233 0.54 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.87 -111.12 3.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.489 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.287 -0.864 . . . . 0.0 110.918 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -83.13 105.19 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -114.51 20.74 15.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.532 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.608 ' O ' ' N ' ' A' ' 5' ' ' GLY . 69.3 p-90 -68.56 -18.55 64.37 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.137 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.3 m -38.58 84.55 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 124.148 0.905 . . . . 0.0 111.171 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 163.04 -22.06 0.18 Allowed Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.727 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.57 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -62.78 12.98 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -135.84 -34.51 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.034 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.481 HG23 ' CD2' ' A' ' 7' ' ' TYR . 69.6 p -122.68 15.11 10.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.945 0.403 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.607 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 93.1 mt -142.81 -62.97 0.42 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.234 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.617 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.4 mp 45.55 -87.02 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.61 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 9' ' ' LEU . 80.3 p -70.74 0.53 6.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.819 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.607 ' HD3' ' HA ' ' A' ' 9' ' ' LEU . 71.0 mtp180 -106.7 11.33 30.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.672 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 t -108.56 67.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.145 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 50.96 -92.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.164 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -175.66 118.94 0.16 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.927 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -142.85 -21.12 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -64.88 146.71 54.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -129.96 -26.28 2.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.66 118.32 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.4 tt -77.29 139.37 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.11 -155.84 6.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.834 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt -69.2 106.28 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.658 0.266 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -92.21 125.85 37.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.324 0.583 . . . . 0.0 111.292 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.57 ' O ' ' N ' ' A' ' 5' ' ' GLY . 24.8 p-90 -164.22 -70.76 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.869 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 t 29.45 30.82 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 123.719 0.637 . . . . 0.0 111.817 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.592 ' HA3' HG21 ' A' ' 13' ' ' VAL . . . -165.3 30.43 0.22 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.514 -0.851 . . . . 0.0 113.342 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.52 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -109.87 25.45 11.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.983 0.42 . . . . 0.0 111.71 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.637 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -131.04 -35.78 1.37 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.963 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -141.82 9.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.473 HD23 ' HD2' ' A' ' 12' ' ' ARG . 66.9 mt -141.31 19.57 2.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.899 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -39.35 -77.25 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.489 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.9 p -67.27 -8.02 28.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 110.38 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HD2' HD23 ' A' ' 9' ' ' LEU . 99.6 mtt180 -95.5 7.51 46.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.754 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.592 HG21 ' HA3' ' A' ' 5' ' ' GLY . 77.9 t -145.57 101.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.721 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -49.12 101.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.645 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -55.1 -66.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.052 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -113.92 -5.6 13.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.9 m 59.78 100.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.5 t -124.27 -28.23 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -157.91 118.58 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.9 pt -91.62 158.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.77 132.68 7.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.552 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 22' ' ' ARG . 9.1 mpt_? . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.188 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -95.38 107.17 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.73 0.3 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 3' ' ' TRP . 5.1 p30 -118.28 -5.03 10.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.729 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.551 ' O ' ' N ' ' A' ' 5' ' ' GLY . 35.4 p-90 -34.54 -71.45 0.07 Allowed 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.513 0.508 . . . . 0.0 111.429 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.6 m 25.31 39.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.633 0.583 . . . . 0.0 110.929 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.652 ' HA3' HG21 ' A' ' 13' ' ' VAL . . . -170.44 27.54 0.11 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.167 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.8 pp -111.17 24.95 12.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.945 0.402 . . . . 0.0 111.859 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.631 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -130.12 -39.52 1.36 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.143 179.682 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -139.32 10.5 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.53 ' HB3' HG23 ' A' ' 13' ' ' VAL . 67.0 mt -141.98 19.26 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.526 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -38.52 -77.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.466 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.7 p -68.98 -7.09 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.408 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.518 ' HD3' HD23 ' A' ' 9' ' ' LEU . 68.0 mtp180 -95.09 8.99 41.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.75 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.652 HG21 ' HA3' ' A' ' 5' ' ' GLY . 73.8 t -145.38 100.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.794 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -52.15 96.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.458 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.31 -176.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.048 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -130.7 154.7 47.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 t -78.92 113.75 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.6 m -124.39 109.41 13.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.72 -173.34 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.3 mt -124.01 121.01 61.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.14 169.88 28.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.868 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt -94.22 104.63 16.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.577 0.227 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -93.67 118.63 31.64 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.405 0.622 . . . . 0.0 110.87 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 5' ' ' GLY . 21.1 p-90 -167.36 -72.76 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.849 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 t 29.79 30.43 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 123.81 0.694 . . . . 0.0 111.407 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.604 ' HA3' HG21 ' A' ' 13' ' ' VAL . . . -163.91 32.0 0.27 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.205 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.551 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 pp -113.61 20.35 16.04 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.622 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -126.43 -39.21 2.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.125 -179.836 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.3 p -141.56 11.19 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.566 HD23 ' HD3' ' A' ' 12' ' ' ARG . 69.3 mt -141.16 15.04 2.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.129 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.846 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.3 mp -42.16 -71.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.219 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.6 t -68.19 -8.83 42.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.406 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.566 ' HD3' HD23 ' A' ' 9' ' ' LEU . 68.8 mtp180 -100.43 10.09 41.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.741 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.604 HG21 ' HA3' ' A' ' 5' ' ' GLY . 77.7 t -145.5 102.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.655 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -47.3 100.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -59.17 -34.09 71.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.077 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -97.79 176.63 5.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.9 m 60.6 101.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.083 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.4 p -67.12 -46.54 73.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.242 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.23 21.55 8.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.216 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.73 114.16 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.73 90.67 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.429 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.91 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -91.31 107.04 18.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.69 0.281 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -114.26 21.21 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.586 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.0 p-90 -74.38 -8.16 55.32 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.507 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.445 HG23 ' OH ' ' A' ' 7' ' ' TYR . 82.3 m -50.44 82.73 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 123.741 0.651 . . . . 0.0 110.251 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 156.03 24.54 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.786 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.578 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.9 pp -114.29 14.17 17.99 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.966 0.413 . . . . 0.0 110.635 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.625 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -136.18 -52.39 0.72 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.441 -178.117 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.493 ' C ' HD22 ' A' ' 9' ' ' LEU . 30.9 p -106.12 -4.74 20.01 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.493 HD22 ' C ' ' A' ' 8' ' ' THR . 4.0 mm? -124.39 -50.75 1.76 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.19 0.519 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 10' ' ' LEU . 6.6 mt 65.19 -68.74 0.11 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.928 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.1 p -59.6 -10.49 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 78.6 ttt180 -82.14 1.28 36.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.261 0.553 . . . . 0.0 110.694 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -145.15 101.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.802 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -53.85 94.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.676 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -61.94 123.43 18.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -80.72 143.5 32.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p 50.56 -166.17 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.203 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 t -104.3 -26.34 12.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.99 177.53 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 tt -94.4 140.21 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.2 -70.12 1.32 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.442 -0.79 . . . . 0.0 111.059 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -97.24 23.04 7.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.659 0.266 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -71.46 -2.58 17.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.683 ' HE3' HD22 ' A' ' 6' ' ' LEU . 70.6 p-90 -46.49 -26.43 0.86 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.91 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 3' ' ' TRP . 26.5 m -32.53 87.7 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 124.112 0.883 . . . . 0.0 110.587 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 142.0 1.3 1.35 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.809 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.683 HD22 ' HE3' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -76.37 17.97 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.0 112.086 -179.318 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -128.35 -32.98 2.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.675 -179.425 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.9 p -143.67 9.09 1.55 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.741 0.305 . . . . 0.0 111.695 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 13' ' ' VAL . 79.5 mt -144.07 17.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.261 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.858 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.2 mp -42.17 -65.76 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.369 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -78.64 24.68 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.268 0.556 . . . . 0.0 109.945 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.469 ' H ' ' C ' ' A' ' 10' ' ' LEU . 97.8 mtt180 -136.41 6.88 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.793 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 9' ' ' LEU . 23.0 t -80.69 -5.16 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 54.55 89.18 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.927 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -99.27 -60.81 1.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.028 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -87.07 12.38 11.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -60.01 130.66 47.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.1 m 60.23 98.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.47 160.17 15.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.0 132.76 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.27 -154.7 25.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.93 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 24.8 ptt? -95.75 124.48 39.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -121.25 6.81 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.697 ' CE3' HD22 ' A' ' 6' ' ' LEU . 70.2 p-90 -50.49 -21.27 1.42 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.708 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' TRP . 28.7 m -36.57 89.13 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.885 0.741 . . . . 0.0 110.276 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 135.13 27.94 0.45 Allowed Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.303 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.697 HD22 ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -106.6 15.01 26.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.298 0.57 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.602 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -129.81 -56.73 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.712 -177.807 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.1 p -112.27 19.6 17.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.574 ' HB3' ' HB2' ' A' ' 12' ' ' ARG . 67.2 mt -141.82 -57.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.915 0.388 . . . . 0.0 111.524 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.7 mp 40.62 -86.81 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.962 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 9' ' ' LEU . 40.2 t -67.16 -0.05 3.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.812 0.339 . . . . 0.0 111.057 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.574 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 70.5 mtp180 -107.85 15.63 24.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 5' ' ' GLY . 13.1 t -123.51 88.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.177 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -54.97 97.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -54.39 -36.05 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.11 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -99.17 -81.17 0.46 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.019 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -157.65 -77.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.0 m -157.85 -70.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.02 -179.44 6.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.7 mt -107.24 135.03 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.18 123.81 1.77 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.878 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.444 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -143.64 120.12 11.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.886 0.374 . . . . 0.0 111.009 . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -126.74 23.22 6.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.521 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.594 ' HE3' ' HG ' ' A' ' 6' ' ' LEU . 67.5 p-90 -64.69 -22.5 66.99 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.154 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' TRP . 51.3 m -33.38 86.25 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 124.289 0.993 . . . . 0.0 111.182 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 154.89 -6.64 0.29 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.933 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.594 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.3 pp -76.61 15.61 0.61 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.166 0.483 . . . . 0.0 111.925 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -133.78 -23.97 1.76 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.838 -179.355 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.8 p -144.22 4.54 1.24 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 13' ' ' VAL . 64.2 mt -141.02 9.01 2.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.696 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.72 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -53.04 142.21 20.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.255 179.409 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 t 60.83 8.97 2.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.357 0.598 . . . . 0.0 109.495 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 57.9 ttt180 -133.4 -5.32 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.16 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 9' ' ' LEU . 22.3 t -71.47 -6.68 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.227 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 m120 54.73 22.93 4.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.926 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -68.18 -69.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.9 m80 59.92 -168.43 0.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -57.29 135.13 56.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 t -81.36 154.47 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.203 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.16 124.51 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 tp -147.74 138.78 17.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.52 21.93 65.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 4.2 mmp_? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -88.13 108.33 19.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.653 0.263 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -115.7 22.04 13.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.561 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.1 p-90 -72.58 -9.33 58.45 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.389 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.411 HG23 ' OH ' ' A' ' 7' ' ' TYR . 69.7 m -48.23 84.39 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.747 0.654 . . . . 0.0 110.503 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.69 ' HA3' ' HB2' ' A' ' 12' ' ' ARG . . . 155.29 18.5 0.04 OUTLIER Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.089 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.571 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.9 pp -107.15 15.69 24.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.115 0.483 . . . . 0.0 110.505 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -138.99 -52.35 0.56 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.566 -178.332 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.9 p -110.94 24.3 13.1 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' A' ' 11' ' ' SER . 0.1 OUTLIER -153.24 -53.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.553 0.692 . . . . 0.0 110.453 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.1 mt 58.24 2.79 0.21 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.209 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.569 ' HB3' HD12 ' A' ' 9' ' ' LEU . 35.1 t -109.81 3.6 20.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.69 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 99.7 mtt180 -111.34 4.2 18.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.605 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.832 HG13 ' H ' ' A' ' 15' ' ' ARG . 11.3 p -109.55 -5.94 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.054 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 57.16 12.87 1.42 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.351 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.832 ' H ' HG13 ' A' ' 13' ' ' VAL . 99.0 mtt180 57.55 -178.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.147 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.2 m80 57.2 -172.88 0.08 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.217 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -107.99 120.14 41.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -130.32 -21.15 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.83 177.8 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.7 mt -86.27 112.77 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.16 -93.3 2.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.882 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.441 ' HG3' ' HD1' ' A' ' 3' ' ' TRP . 12.4 tpt -79.67 101.44 8.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.601 0.238 . . . . 0.0 110.733 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -88.14 133.18 34.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.287 0.565 . . . . 0.0 111.27 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.595 ' O ' ' N ' ' A' ' 5' ' ' GLY . 64.8 p-90 -178.64 -31.19 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.213 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' TRP . 40.8 m -24.38 83.92 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 124.473 1.108 . . . . 0.0 111.269 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 159.42 -8.36 0.15 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.852 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.595 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.5 pp -77.57 15.97 0.72 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -130.54 -27.83 2.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.57 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 p -145.86 13.06 1.3 Allowed 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.56 ' HA ' ' HB2' ' A' ' 12' ' ' ARG . 95.7 mt -147.55 11.78 1.0 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 0.0 111.37 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.87 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.1 mp -40.71 -72.03 0.07 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.192 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -78.64 0.09 27.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.383 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.56 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 57.2 mtp180 -105.39 15.8 26.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 10' ' ' LEU . 3.9 m -66.05 -119.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.528 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.473 ' HB2' ' HB2' ' A' ' 17' ' ' SER . 33.2 m-80 57.39 25.87 11.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 64.4 -81.78 0.03 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -81.82 -72.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 14' ' ' ASN . 35.8 t 59.67 13.23 3.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.5 t -102.69 -28.29 12.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.3 115.56 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.4 pt -69.41 149.54 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.73 -113.05 4.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.071 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -94.28 115.73 28.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 3' ' ' TRP . 18.4 t-20 -133.87 -12.14 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.065 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.565 ' O ' ' N ' ' A' ' 5' ' ' GLY . 38.8 p-90 -34.33 -72.22 0.05 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.345 -178.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.482 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.3 m 24.35 39.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.655 0.597 . . . . 0.0 111.079 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -167.58 29.0 0.17 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.796 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.554 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.3 pp -116.48 17.04 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.344 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -136.59 -47.91 0.62 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.201 -178.787 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.509 HG23 ' CD2' ' A' ' 7' ' ' TYR . 69.2 p -114.14 11.48 17.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 111.501 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' SER . 68.3 mt -137.82 -59.99 0.65 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.554 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.632 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.5 mp 45.35 -86.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.181 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' LEU . 52.9 m -88.42 20.36 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.075 0.464 . . . . 0.0 110.044 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HD3' HD23 ' A' ' 9' ' ' LEU . 75.3 ttt180 -129.21 4.53 5.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.537 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.841 HG13 ' H ' ' A' ' 15' ' ' ARG . 13.6 p -88.08 -3.3 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.112 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 58.14 12.14 1.77 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.464 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.841 ' H ' HG13 ' A' ' 13' ' ' VAL . 29.5 mmm180 57.75 -85.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.255 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -137.29 149.14 46.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.354 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -144.6 125.13 13.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -75.99 -11.47 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.7 106.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.259 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.1 pt -85.64 19.75 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.41 -37.56 0.27 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.498 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.955 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 58.67 97.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 3' ' ' TRP . 20.8 t-20 -110.81 -9.16 14.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.025 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.582 ' O ' ' N ' ' A' ' 5' ' ' GLY . 47.7 p-90 -33.44 -67.63 0.12 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.19 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.505 ' C ' ' O ' ' A' ' 3' ' ' TRP . 6.0 m 19.89 44.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.928 0.767 . . . . 0.0 111.166 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.612 ' HA2' ' HB2' ' A' ' 9' ' ' LEU . . . -174.11 26.17 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.541 -0.837 . . . . 0.0 113.045 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.562 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.4 pp -112.14 18.88 18.29 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -120.48 -44.05 2.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.509 ' C ' HD22 ' A' ' 9' ' ' LEU . 65.1 p -140.93 5.67 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.612 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 3.6 mm? -127.38 12.5 7.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.864 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.1 mp -43.69 -64.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 179.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -85.95 14.39 6.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.12 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.526 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 98.0 mtt180 -127.17 9.34 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.114 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.846 HG13 ' H ' ' A' ' 15' ' ' ARG . 12.4 p -111.25 -9.31 11.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.081 0.467 . . . . 0.0 111.283 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 53.95 16.59 1.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.543 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.846 ' H ' HG13 ' A' ' 13' ' ' VAL . 67.0 mtp180 56.87 -173.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.031 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m80 58.14 -172.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 19' ' ' ALA . 47.2 t -109.91 95.99 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.6 m 68.22 -9.42 0.5 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.435 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 17' ' ' SER . . . 58.98 179.69 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.318 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.7 mt 64.7 129.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.401 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.69 -161.29 21.15 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.441 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.019 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt 60.4 101.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.164 0.29 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -90.87 126.94 36.19 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.219 0.533 . . . . 0.0 110.839 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.536 ' O ' ' C ' ' A' ' 4' ' ' THR . 39.3 p-90 -166.17 -59.43 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.878 179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.536 ' C ' ' O ' ' A' ' 3' ' ' TRP . 9.7 m 13.57 56.3 0.0 OUTLIER 'General case' 0 C--O 1.232 0.165 0 O-C-N 124.355 1.034 . . . . 0.0 111.356 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -171.21 -20.47 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.625 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.615 ' C ' HD22 ' A' ' 10' ' ' LEU . 2.9 pp -67.17 18.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -136.24 -25.1 1.21 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.5 p -143.95 8.55 1.47 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 111.4 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.503 HD23 ' HD2' ' A' ' 12' ' ' ARG . 98.3 mt -151.0 12.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.978 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.016 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -56.96 -44.59 82.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -88.99 14.41 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HD2' HD23 ' A' ' 9' ' ' LEU . 97.5 mtt180 -135.28 12.03 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.034 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' A' ' 15' ' ' ARG . 3.1 p -112.63 89.55 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.422 0.63 . . . . 0.0 111.639 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -71.21 6.3 1.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.673 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' H ' ' C ' ' A' ' 13' ' ' VAL . 83.0 mtm180 63.56 -176.68 0.15 Allowed 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.051 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -96.82 147.82 23.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 m -67.68 167.61 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -78.01 148.26 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.28 141.64 28.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.6 tt -90.5 140.69 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.28 104.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.019 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt -78.78 103.47 8.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.765 0.317 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' TRP . 16.6 t-20 -115.56 -18.29 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.027 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.576 ' O ' ' N ' ' A' ' 5' ' ' GLY . 37.3 p-90 -34.51 -71.8 0.06 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.34 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.2 m 24.95 38.58 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.663 0.602 . . . . 0.0 110.971 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -170.01 30.23 0.14 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.939 -178.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.529 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -114.21 23.69 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.998 0.428 . . . . 0.0 111.827 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -130.35 -41.58 1.23 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.98 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.4 p -136.94 9.63 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 12' ' ' ARG . 90.8 mt -142.77 22.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.023 -179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -39.04 -76.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.254 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -73.34 -1.18 17.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 0.0 110.193 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.5 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 98.3 mtt180 -103.72 12.78 34.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.804 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.685 HG13 ' H ' ' A' ' 15' ' ' ARG . 7.3 p -85.05 0.64 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.308 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 56.56 17.71 3.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.539 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.685 ' H ' HG13 ' A' ' 13' ' ' VAL . 15.4 ptp180 41.72 -159.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.693 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -76.17 131.1 39.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.3 m -142.13 169.91 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.9 m -103.23 130.0 50.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.81 115.86 30.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 20' ' ' ILE . 3.8 mp -92.21 126.29 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.62 77.98 1.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.911 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -72.26 149.68 44.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.753 0.311 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' A' ' 3' ' ' TRP . 20.3 t-20 -140.14 -11.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.307 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' GLY . 49.0 p-90 -33.36 -66.24 0.15 Allowed 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 123.09 0.244 . . . . 0.0 111.083 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.508 ' C ' ' O ' ' A' ' 3' ' ' TRP . 4.8 m 17.87 46.07 0.0 OUTLIER 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.968 0.793 . . . . 0.0 111.469 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.671 ' HA3' ' HB2' ' A' ' 12' ' ' ARG . . . -175.87 24.31 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.993 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.551 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.5 pp -107.0 21.98 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.203 0.525 . . . . 0.0 110.645 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.622 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -143.39 -42.32 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.387 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.403 HG23 ' CD2' ' A' ' 7' ' ' TYR . 36.9 p -118.34 16.71 13.92 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 mt -150.42 -46.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.486 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.8 mt 54.74 12.58 0.59 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.424 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -110.25 -5.24 15.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.671 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 96.1 mtt180 -101.59 4.94 41.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.461 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.7 t -94.54 -134.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.591 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -118.09 3.58 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.38 162.99 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -148.94 143.19 26.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.004 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.3 t -108.31 139.67 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.4 m -75.34 110.64 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.066 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.06 126.39 40.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 tp -96.11 139.66 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.05 134.96 12.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.375 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.906 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt -135.58 106.75 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' TRP . 16.1 t-20 -109.99 -19.45 13.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.571 ' O ' ' N ' ' A' ' 5' ' ' GLY . 40.0 p-90 -34.52 -70.8 0.07 Allowed 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.3 0.375 . . . . 0.0 111.354 -178.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.5 m 23.64 40.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.737 0.648 . . . . 0.0 111.021 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -172.72 29.54 0.1 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.0 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.597 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 pp -111.64 20.07 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.007 0.432 . . . . 0.0 111.751 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -125.76 -39.35 2.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -143.0 14.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.371 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.529 ' HB3' HG13 ' A' ' 13' ' ' VAL . 90.0 mt -143.09 11.9 1.79 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.847 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.3 mp -40.86 -71.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.694 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.4 t -82.38 16.12 2.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.694 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.465 ' HD3' HD23 ' A' ' 9' ' ' LEU . 76.6 mtp180 -113.94 -6.39 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.46 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.529 HG13 ' HB3' ' A' ' 9' ' ' LEU . 16.4 m -107.46 -134.31 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.688 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -128.14 -38.02 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.755 0.312 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 61.78 108.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.221 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 -158.83 141.18 14.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.3 m -118.71 -11.0 9.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.7 m 60.17 99.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.236 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.3 121.22 13.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.5 mt -90.23 115.14 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.03 -111.32 0.48 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.826 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -96.39 114.58 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 3' ' ' TRP . 19.6 t-20 -130.37 -11.35 4.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.003 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.559 ' O ' ' N ' ' A' ' 5' ' ' GLY . 42.2 p-90 -33.23 -68.19 0.11 Allowed 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 123.292 0.37 . . . . 0.0 111.227 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.485 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.0 m 20.26 44.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 O-C-N 123.878 0.736 . . . . 0.0 111.459 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -169.02 19.67 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.087 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.552 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.5 pp -107.26 18.87 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.633 -0.334 . . . . 0.0 111.433 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -139.25 -52.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -178.664 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.435 HG23 ' CD2' ' A' ' 7' ' ' TYR . 71.8 p -114.27 18.82 16.76 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.607 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 80.9 mt -142.15 -57.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.948 0.404 . . . . 0.0 111.558 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.617 ' N ' HD12 ' A' ' 10' ' ' LEU . 5.1 mp 40.89 -84.91 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.974 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 9' ' ' LEU . 79.8 p -75.4 8.8 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.983 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.607 ' HD2' ' HA ' ' A' ' 9' ' ' LEU . 96.5 mtt180 -113.84 9.58 17.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 5' ' ' GLY . 2.0 t -105.2 -131.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.68 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -78.91 -2.54 40.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.259 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 63.85 151.94 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -77.89 111.29 13.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -94.83 -25.98 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.705 HG22 ' H ' ' A' ' 20' ' ' ILE . 32.0 m 61.48 -86.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 55.16 22.5 4.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.344 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.705 ' H ' HG22 ' A' ' 18' ' ' THR . 7.9 tp -134.67 141.86 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.034 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.67 91.85 0.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.921 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -139.49 90.29 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.346 . . . . 0.0 111.074 . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -100.3 124.79 46.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.271 0.558 . . . . 0.0 111.051 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.539 ' O ' ' N ' ' A' ' 5' ' ' GLY . 29.9 p-90 -164.47 -68.09 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.847 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 m 22.23 42.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 O-C-N 124.022 0.826 . . . . 0.0 111.176 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 12' ' ' ARG . . . -170.29 21.88 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.481 -0.866 . . . . 0.0 113.162 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.522 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.0 pp -107.11 22.24 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 110.703 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -147.14 -37.11 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.219 -178.686 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.417 HG23 ' CD2' ' A' ' 7' ' ' TYR . 35.5 p -120.83 15.03 11.73 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -178.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.1 mt -151.02 -44.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.5 0.667 . . . . 0.0 110.759 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.9 mt 54.24 13.66 0.64 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.581 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -112.58 0.95 15.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.67 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 94.6 mtt180 -112.81 2.42 15.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.602 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.476 ' HB ' ' HB3' ' A' ' 6' ' ' LEU . 2.5 p -116.86 93.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.367 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -62.98 -3.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.084 178.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 13' ' ' VAL . 99.2 mtt180 65.95 163.57 0.17 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.122 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 m80 58.28 96.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.054 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -107.92 131.88 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -162.9 149.05 12.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.243 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.2 100.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.34 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.0 mt -96.11 131.07 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.31 -145.41 4.56 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.581 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.966 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptt? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.863 0.363 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.644 HD22 ' N ' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -97.29 123.31 41.06 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.248 0.547 . . . . 0.0 110.662 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.644 ' N ' HD22 ' A' ' 2' ' ' ASN . 26.8 p-90 -163.2 -69.38 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.094 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.0 m 23.63 41.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.913 0.758 . . . . 0.0 111.191 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -166.03 19.52 0.1 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.105 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.532 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.4 pp -107.1 18.75 21.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.609 -0.348 . . . . 0.0 111.559 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -139.16 -52.0 0.54 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.45 HG23 ' CD2' ' A' ' 7' ' ' TYR . 75.3 p -113.85 18.2 17.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.467 ' H ' HD12 ' A' ' 10' ' ' LEU . 80.7 mt -141.9 -57.85 0.47 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.986 0.422 . . . . 0.0 111.521 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.9 mp . . . . . 0 C--N 1.318 -0.779 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.927 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.853 0.359 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 3.2 t30 -126.56 5.87 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.681 ' HE3' HD22 ' A' ' 6' ' ' LEU . 70.6 p-90 -48.63 -24.68 1.43 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.741 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' TRP . 29.0 m -33.35 88.76 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.973 0.796 . . . . 0.0 110.622 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 140.06 4.39 1.33 Allowed Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.923 -178.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.681 HD22 ' HE3' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -79.39 17.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.101 0.477 . . . . 0.0 111.683 -179.351 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -128.28 -31.65 2.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.611 -179.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.8 p -144.78 11.25 1.41 Allowed 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' HB2' ' CA ' ' A' ' 5' ' ' GLY . 78.0 mt -144.13 13.81 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.181 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.859 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.249 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.745 0.307 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.51 20.74 15.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.532 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.608 ' O ' ' N ' ' A' ' 5' ' ' GLY . 69.3 p-90 -68.56 -18.55 64.37 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.137 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.3 m -38.58 84.55 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 124.148 0.905 . . . . 0.0 111.171 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 163.04 -22.06 0.18 Allowed Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.727 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.57 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -62.78 12.98 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -135.84 -34.51 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.481 HG23 ' CD2' ' A' ' 7' ' ' TYR . 69.6 p -122.68 15.11 10.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.945 0.403 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.571 ' H ' HD12 ' A' ' 10' ' ' LEU . 93.1 mt -142.81 -62.97 0.42 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.234 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.617 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.4 mp . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.61 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.658 0.266 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.512 HD22 ' N ' ' A' ' 3' ' ' TRP . 1.1 t-20 -92.21 125.85 37.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.324 0.583 . . . . 0.0 111.292 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.57 ' O ' ' N ' ' A' ' 5' ' ' GLY . 24.8 p-90 -164.22 -70.76 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.869 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 t 29.45 30.82 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 123.719 0.637 . . . . 0.0 111.817 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -165.3 30.43 0.22 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.514 -0.851 . . . . 0.0 113.342 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.52 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -109.87 25.45 11.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.983 0.42 . . . . 0.0 111.71 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.637 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -131.04 -35.78 1.37 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.963 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -141.82 9.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.9 mt -141.31 19.57 2.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.899 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.264 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.489 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.73 0.3 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 3' ' ' TRP . 0.5 OUTLIER -118.28 -5.03 10.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.729 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.551 ' O ' ' N ' ' A' ' 5' ' ' GLY . 35.4 p-90 -34.54 -71.45 0.07 Allowed 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.513 0.508 . . . . 0.0 111.429 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.6 m 25.31 39.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.633 0.583 . . . . 0.0 110.929 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -170.44 27.54 0.11 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.167 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.8 pp -111.17 24.95 12.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.945 0.402 . . . . 0.0 111.859 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.631 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -130.12 -39.52 1.36 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.143 179.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -139.32 10.5 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.0 mt -141.98 19.26 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.526 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.466 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.577 0.227 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.47 HD22 ' N ' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -93.67 118.63 31.64 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.405 0.622 . . . . 0.0 110.87 179.293 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 5' ' ' GLY . 21.1 p-90 -167.36 -72.76 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.849 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 t 29.79 30.43 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 123.81 0.694 . . . . 0.0 111.407 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -163.91 32.0 0.27 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.205 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.551 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 pp -113.61 20.35 16.04 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.622 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -126.43 -39.21 2.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.125 -179.836 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.3 p -141.56 11.19 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.3 mt -141.16 15.04 2.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.129 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.846 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.3 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.219 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.69 0.281 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.26 21.21 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.586 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.0 p-90 -74.38 -8.16 55.32 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.507 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.445 HG23 ' OH ' ' A' ' 7' ' ' TYR . 82.3 m -50.44 82.73 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 123.741 0.651 . . . . 0.0 110.251 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 156.03 24.54 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.786 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.578 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.9 pp -114.29 14.17 17.99 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.966 0.413 . . . . 0.0 110.635 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.625 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -136.18 -52.39 0.72 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.441 -178.117 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.493 ' C ' HD22 ' A' ' 9' ' ' LEU . 30.9 p -106.12 -4.74 20.01 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.493 HD22 ' C ' ' A' ' 8' ' ' THR . 4.0 mm? -124.39 -50.75 1.76 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.19 0.519 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 10' ' ' LEU . 6.6 mt . . . . . 0 C--N 1.318 -0.771 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.928 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.659 0.266 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.481 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 2.4 t30 -71.46 -2.58 17.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.683 ' HE3' HD22 ' A' ' 6' ' ' LEU . 70.6 p-90 -46.49 -26.43 0.86 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.91 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 3' ' ' TRP . 26.5 m -32.53 87.7 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 124.112 0.883 . . . . 0.0 110.587 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 142.0 1.3 1.35 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.809 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.683 HD22 ' HE3' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -76.37 17.97 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.0 112.086 -179.318 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -128.35 -32.98 2.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.675 -179.425 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.9 p -143.67 9.09 1.55 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.741 0.305 . . . . 0.0 111.695 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.5 mt -144.07 17.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.261 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.858 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.2 mp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.369 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 24.8 ptt? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.482 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 3.2 t30 -121.25 6.81 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.697 ' CE3' HD22 ' A' ' 6' ' ' LEU . 70.2 p-90 -50.49 -21.27 1.42 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.708 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' TRP . 28.7 m -36.57 89.13 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.885 0.741 . . . . 0.0 110.276 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 135.13 27.94 0.45 Allowed Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.303 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.697 HD22 ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -106.6 15.01 26.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.298 0.57 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.602 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -129.81 -56.73 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.712 -177.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.1 p -112.27 19.6 17.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.469 ' H ' HD12 ' A' ' 10' ' ' LEU . 67.2 mt -141.82 -57.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.915 0.388 . . . . 0.0 111.524 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.7 mp . . . . . 0 C--N 1.318 -0.791 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.962 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.886 0.374 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.74 23.22 6.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.521 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.594 ' HE3' ' HG ' ' A' ' 6' ' ' LEU . 67.5 p-90 -64.69 -22.5 66.99 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.154 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' TRP . 51.3 m -33.38 86.25 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 124.289 0.993 . . . . 0.0 111.182 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 154.89 -6.64 0.29 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.933 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.594 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.3 pp -76.61 15.61 0.61 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.166 0.483 . . . . 0.0 111.925 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -133.78 -23.97 1.76 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.838 -179.355 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.8 p -144.22 4.54 1.24 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.425 ' HB2' ' CA ' ' A' ' 5' ' ' GLY . 64.2 mt -141.02 9.01 2.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.696 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.72 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.255 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.653 0.263 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.7 22.04 13.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.561 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.1 p-90 -72.58 -9.33 58.45 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.389 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.411 HG23 ' OH ' ' A' ' 7' ' ' TYR . 69.7 m -48.23 84.39 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.747 0.654 . . . . 0.0 110.503 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 155.29 18.5 0.04 OUTLIER Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.089 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.571 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.9 pp -107.15 15.69 24.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.115 0.483 . . . . 0.0 110.505 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -138.99 -52.35 0.56 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.566 -178.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.9 p -110.94 24.3 13.1 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.24 -53.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.553 0.692 . . . . 0.0 110.453 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.1 mt . . . . . 0 C--N 1.315 -0.913 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.209 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.441 ' HG3' ' HD1' ' A' ' 3' ' ' TRP . 12.4 tpt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.601 0.238 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.476 ' ND2' ' N ' ' A' ' 3' ' ' TRP . 1.9 t-20 -88.14 133.18 34.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.287 0.565 . . . . 0.0 111.27 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.595 ' O ' ' N ' ' A' ' 5' ' ' GLY . 64.8 p-90 -178.64 -31.19 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.213 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' TRP . 40.8 m -24.38 83.92 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 124.473 1.108 . . . . 0.0 111.269 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 159.42 -8.36 0.15 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.852 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.595 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.5 pp -77.57 15.97 0.72 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -130.54 -27.83 2.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.57 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 p -145.86 13.06 1.3 Allowed 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.434 ' HB2' ' CA ' ' A' ' 5' ' ' GLY . 95.7 mt -147.55 11.78 1.0 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 0.0 111.37 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.87 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.192 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 1.8 t30 -133.87 -12.14 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.065 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.565 ' O ' ' N ' ' A' ' 5' ' ' GLY . 38.8 p-90 -34.33 -72.22 0.05 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.345 -178.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.482 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.3 m 24.35 39.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.655 0.597 . . . . 0.0 111.079 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -167.58 29.0 0.17 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.796 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.554 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.3 pp -116.48 17.04 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.344 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -136.59 -47.91 0.62 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.201 -178.787 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.509 HG23 ' CD2' ' A' ' 7' ' ' TYR . 69.2 p -114.14 11.48 17.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 111.501 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.487 HD12 ' HA2' ' A' ' 5' ' ' GLY . 68.3 mt -137.82 -59.99 0.65 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.554 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.632 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.5 mp . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.181 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.909 0.385 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.489 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 2.0 t30 -110.81 -9.16 14.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.025 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.582 ' O ' ' N ' ' A' ' 5' ' ' GLY . 47.7 p-90 -33.44 -67.63 0.12 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.19 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.505 ' C ' ' O ' ' A' ' 3' ' ' TRP . 6.0 m 19.89 44.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.928 0.767 . . . . 0.0 111.166 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.612 ' HA2' ' HB2' ' A' ' 9' ' ' LEU . . . -174.11 26.17 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.541 -0.837 . . . . 0.0 113.045 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.562 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.4 pp -112.14 18.88 18.29 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -120.48 -44.05 2.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.509 ' C ' HD22 ' A' ' 9' ' ' LEU . 65.1 p -140.93 5.67 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.612 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 3.6 mm? -127.38 12.5 7.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.864 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.627 0.251 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.673 HD22 ' N ' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -90.87 126.94 36.19 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.219 0.533 . . . . 0.0 110.839 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.673 ' N ' HD22 ' A' ' 2' ' ' ASN . 39.3 p-90 -166.17 -59.43 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.878 179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.536 ' C ' ' O ' ' A' ' 3' ' ' TRP . 9.7 m 13.57 56.3 0.0 OUTLIER 'General case' 0 C--O 1.232 0.165 0 O-C-N 124.355 1.034 . . . . 0.0 111.356 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -171.21 -20.47 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.625 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.615 ' C ' HD22 ' A' ' 10' ' ' LEU . 2.9 pp -67.17 18.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -136.24 -25.1 1.21 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.5 p -143.95 8.55 1.47 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 111.4 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 98.3 mt -151.0 12.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.978 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.016 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.765 0.317 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' TRP . 1.1 t30 -115.56 -18.29 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.027 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.576 ' O ' ' N ' ' A' ' 5' ' ' GLY . 37.3 p-90 -34.51 -71.8 0.06 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.34 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.2 m 24.95 38.58 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.663 0.602 . . . . 0.0 110.971 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -170.01 30.23 0.14 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.939 -178.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.529 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -114.21 23.69 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.998 0.428 . . . . 0.0 111.827 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -130.35 -41.58 1.23 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.98 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.4 p -136.94 9.63 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.444 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 90.8 mt -142.77 22.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.023 -179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.519 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.254 179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.753 0.311 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.476 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 1.9 t30 -140.14 -11.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.307 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' GLY . 49.0 p-90 -33.36 -66.24 0.15 Allowed 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 123.09 0.244 . . . . 0.0 111.083 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.508 ' C ' ' O ' ' A' ' 3' ' ' TRP . 4.8 m 17.87 46.07 0.0 OUTLIER 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.968 0.793 . . . . 0.0 111.469 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -175.87 24.31 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.993 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.551 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.5 pp -107.0 21.98 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.203 0.525 . . . . 0.0 110.645 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.622 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -143.39 -42.32 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.387 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.403 HG23 ' CD2' ' A' ' 7' ' ' TYR . 36.9 p -118.34 16.71 13.92 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 mt -150.42 -46.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.486 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.8 mt . . . . . 0 C--N 1.315 -0.918 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.424 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.72 0.295 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 1.0 OUTLIER -109.99 -19.45 13.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.571 ' O ' ' N ' ' A' ' 5' ' ' GLY . 40.0 p-90 -34.52 -70.8 0.07 Allowed 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.3 0.375 . . . . 0.0 111.354 -178.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.5 m 23.64 40.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.737 0.648 . . . . 0.0 111.021 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -172.72 29.54 0.1 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.0 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.597 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 pp -111.64 20.07 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.007 0.432 . . . . 0.0 111.751 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -125.76 -39.35 2.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -143.0 14.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.371 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.0 mt -143.09 11.9 1.79 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.847 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.3 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.694 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.479 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 1.8 t30 -130.37 -11.35 4.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.003 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.559 ' O ' ' N ' ' A' ' 5' ' ' GLY . 42.2 p-90 -33.23 -68.19 0.11 Allowed 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 123.292 0.37 . . . . 0.0 111.227 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.485 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.0 m 20.26 44.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 O-C-N 123.878 0.736 . . . . 0.0 111.459 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -169.02 19.67 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.087 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.552 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.5 pp -107.26 18.87 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.633 -0.334 . . . . 0.0 111.433 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -139.25 -52.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -178.664 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.435 HG23 ' CD2' ' A' ' 7' ' ' TYR . 71.8 p -114.27 18.82 16.76 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 10' ' ' LEU . 80.9 mt -142.15 -57.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.948 0.404 . . . . 0.0 111.558 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.617 ' N ' HD12 ' A' ' 10' ' ' LEU . 5.1 mp . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.974 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.828 0.346 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.478 HD22 ' N ' ' A' ' 3' ' ' TRP . 1.2 t-20 -100.3 124.79 46.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.271 0.558 . . . . 0.0 111.051 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.539 ' O ' ' N ' ' A' ' 5' ' ' GLY . 29.9 p-90 -164.47 -68.09 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.847 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 m 22.23 42.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 O-C-N 124.022 0.826 . . . . 0.0 111.176 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -170.29 21.88 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.481 -0.866 . . . . 0.0 113.162 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.522 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.0 pp -107.11 22.24 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 110.703 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -147.14 -37.11 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.219 -178.686 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.417 HG23 ' CD2' ' A' ' 7' ' ' TYR . 35.5 p -120.83 15.03 11.73 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -178.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.1 mt -151.02 -44.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.5 0.667 . . . . 0.0 110.759 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.9 mt . . . . . 0 C--N 1.314 -0.951 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.581 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -92.64 94.37 8.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.644 HD22 ' N ' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -97.29 123.31 41.06 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.248 0.547 . . . . 0.0 110.662 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.644 ' N ' HD22 ' A' ' 2' ' ' ASN . 26.8 p-90 -163.2 -69.38 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.094 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.0 m 23.63 41.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.913 0.758 . . . . 0.0 111.191 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -166.03 19.52 0.1 Allowed Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.105 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.532 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.4 pp -107.1 18.75 21.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.609 -0.348 . . . . 0.0 111.559 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -139.16 -52.0 0.54 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.45 HG23 ' CD2' ' A' ' 7' ' ' TYR . 75.3 p -113.85 18.2 17.51 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.564 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 80.7 mt -141.9 -57.85 0.47 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.986 0.422 . . . . 0.0 111.521 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.9 mp 40.95 -86.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.927 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.486 ' N ' ' O ' ' A' ' 9' ' ' LEU . 57.8 m -70.46 3.51 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 0.0 110.986 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.564 ' HD3' ' HA ' ' A' ' 9' ' ' LEU . 67.2 mtp180 -110.07 13.41 23.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.504 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.493 HG21 ' O ' ' A' ' 5' ' ' GLY . 2.4 t -115.03 84.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.013 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.564 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -53.24 103.96 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -60.14 111.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.948 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.8 m80 58.67 -173.1 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.3 m -85.91 -176.45 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.9 m -62.91 139.47 58.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.5 153.48 35.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.7 tt -143.13 143.36 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.012 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.07 -52.8 49.88 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.833 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.418 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -148.45 124.76 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 110.976 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 3.2 t30 -126.56 5.87 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.794 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.681 ' HE3' HD22 ' A' ' 6' ' ' LEU . 70.6 p-90 -48.63 -24.68 1.43 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.741 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' TRP . 29.0 m -33.35 88.76 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 123.973 0.796 . . . . 0.0 110.622 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 140.06 4.39 1.33 Allowed Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.923 -178.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.681 HD22 ' HE3' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -79.39 17.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.101 0.477 . . . . 0.0 111.683 -179.351 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -128.28 -31.65 2.29 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.611 -179.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.8 p -144.78 11.25 1.41 Allowed 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.539 HD23 ' HD2' ' A' ' 12' ' ' ARG . 78.0 mt -144.13 13.81 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.181 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.859 ' H ' HD12 ' A' ' 10' ' ' LEU . 5.1 mp -41.63 -70.91 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.249 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.6 m -67.39 -9.99 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.081 0.467 . . . . 0.0 110.425 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HD2' HD23 ' A' ' 9' ' ' LEU . 98.8 mtt180 -99.88 10.5 41.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.731 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' HB3' ' A' ' 9' ' ' LEU . 71.8 t -144.65 102.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.665 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.407 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -49.0 96.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -56.39 -61.55 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.025 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -78.36 123.49 27.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 t -102.65 -62.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.8 t -125.0 161.13 27.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.08 164.99 26.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.421 ' O ' HG12 ' A' ' 20' ' ' ILE . 16.3 tt -136.12 16.17 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.233 0.54 . . . . 0.0 110.799 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.87 -111.12 3.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.489 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.287 -0.864 . . . . 0.0 110.918 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -83.13 105.19 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.51 20.74 15.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.532 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.608 ' O ' ' N ' ' A' ' 5' ' ' GLY . 69.3 p-90 -68.56 -18.55 64.37 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.137 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.3 m -38.58 84.55 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 124.148 0.905 . . . . 0.0 111.171 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 163.04 -22.06 0.18 Allowed Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.727 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.57 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -62.78 12.98 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.856 0.688 . . . . 0.0 112.856 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -135.84 -34.51 0.81 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.481 HG23 ' CD2' ' A' ' 7' ' ' TYR . 69.6 p -122.68 15.11 10.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.945 0.403 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.607 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 93.1 mt -142.81 -62.97 0.42 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.234 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.617 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.4 mp 45.55 -87.02 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.61 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 9' ' ' LEU . 80.3 p -70.74 0.53 6.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.819 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.607 ' HD3' ' HA ' ' A' ' 9' ' ' LEU . 71.0 mtp180 -106.7 11.33 30.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.672 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 t -108.56 67.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.145 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.579 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER 50.96 -92.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.164 -179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -175.66 118.94 0.16 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.927 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -142.85 -21.12 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -64.88 146.71 54.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 t -129.96 -26.28 2.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.66 118.32 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.4 tt -77.29 139.37 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.11 -155.84 6.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.498 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.834 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpt -69.2 106.28 2.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.658 0.266 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.512 HD22 ' N ' ' A' ' 3' ' ' TRP . 1.1 t-20 -92.21 125.85 37.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.324 0.583 . . . . 0.0 111.292 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.57 ' O ' ' N ' ' A' ' 5' ' ' GLY . 24.8 p-90 -164.22 -70.76 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.869 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 t 29.45 30.82 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 123.719 0.637 . . . . 0.0 111.817 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.592 ' HA3' HG21 ' A' ' 13' ' ' VAL . . . -165.3 30.43 0.22 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.514 -0.851 . . . . 0.0 113.342 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.52 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -109.87 25.45 11.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.983 0.42 . . . . 0.0 111.71 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.637 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -131.04 -35.78 1.37 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.963 179.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -141.82 9.72 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.473 HD23 ' HD2' ' A' ' 12' ' ' ARG . 66.9 mt -141.31 19.57 2.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.899 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -39.35 -77.25 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.489 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.9 p -67.27 -8.02 28.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.074 0.464 . . . . 0.0 110.38 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HD2' HD23 ' A' ' 9' ' ' LEU . 99.6 mtt180 -95.5 7.51 46.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.754 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.592 HG21 ' HA3' ' A' ' 5' ' ' GLY . 77.9 t -145.57 101.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.721 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.57 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -49.12 101.55 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.645 179.682 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -55.1 -66.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.052 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -113.92 -5.6 13.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.9 m 59.78 100.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.103 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.5 t -124.27 -28.23 3.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -157.91 118.58 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.9 pt -91.62 158.87 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.77 132.68 7.43 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.552 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 22' ' ' ARG . 9.1 mpt_? . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.188 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -95.38 107.17 19.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.73 0.3 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 3' ' ' TRP . 0.5 OUTLIER -118.28 -5.03 10.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.729 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.551 ' O ' ' N ' ' A' ' 5' ' ' GLY . 35.4 p-90 -34.54 -71.45 0.07 Allowed 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.513 0.508 . . . . 0.0 111.429 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.6 m 25.31 39.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 O-C-N 123.633 0.583 . . . . 0.0 110.929 -178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.652 ' HA3' HG21 ' A' ' 13' ' ' VAL . . . -170.44 27.54 0.11 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.167 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.8 pp -111.17 24.95 12.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.945 0.402 . . . . 0.0 111.859 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.631 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -130.12 -39.52 1.36 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.143 179.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -139.32 10.5 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.53 ' HB3' HG23 ' A' ' 13' ' ' VAL . 67.0 mt -141.98 19.26 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.526 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -38.52 -77.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.466 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.7 p -68.98 -7.09 32.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.073 0.463 . . . . 0.0 110.408 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.518 ' HD3' HD23 ' A' ' 9' ' ' LEU . 68.0 mtp180 -95.09 8.99 41.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.75 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.652 HG21 ' HA3' ' A' ' 5' ' ' GLY . 73.8 t -145.38 100.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.794 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.579 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER -52.15 96.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.458 179.554 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.31 -176.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.048 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -130.7 154.7 47.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.9 t -78.92 113.75 17.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.6 m -124.39 109.41 13.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.72 -173.34 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.3 mt -124.01 121.01 61.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.14 169.88 28.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.868 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt -94.22 104.63 16.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.577 0.227 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.47 HD22 ' N ' ' A' ' 3' ' ' TRP . 1.0 OUTLIER -93.67 118.63 31.64 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.405 0.622 . . . . 0.0 110.87 179.293 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.577 ' O ' ' N ' ' A' ' 5' ' ' GLY . 21.1 p-90 -167.36 -72.76 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.849 178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 t 29.79 30.43 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 123.81 0.694 . . . . 0.0 111.407 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.604 ' HA3' HG21 ' A' ' 13' ' ' VAL . . . -163.91 32.0 0.27 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.205 -178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.551 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 pp -113.61 20.35 16.04 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.622 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -126.43 -39.21 2.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.125 -179.836 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.3 p -141.56 11.19 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.202 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.566 HD23 ' HD3' ' A' ' 12' ' ' ARG . 69.3 mt -141.16 15.04 2.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.129 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.846 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.3 mp -42.16 -71.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.219 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.6 t -68.19 -8.83 42.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.406 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.566 ' HD3' HD23 ' A' ' 9' ' ' LEU . 68.8 mtp180 -100.43 10.09 41.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.741 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.604 HG21 ' HA3' ' A' ' 5' ' ' GLY . 77.7 t -145.5 102.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.655 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -47.3 100.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -59.17 -34.09 71.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.077 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -97.79 176.63 5.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.9 m 60.6 101.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.083 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.4 p -67.12 -46.54 73.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.242 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.23 21.55 8.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.216 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -87.73 114.16 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.73 90.67 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.429 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.91 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -91.31 107.04 18.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.69 0.281 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.26 21.21 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.564 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.586 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.0 p-90 -74.38 -8.16 55.32 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.507 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.445 HG23 ' OH ' ' A' ' 7' ' ' TYR . 82.3 m -50.44 82.73 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 123.741 0.651 . . . . 0.0 110.251 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 156.03 24.54 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.786 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.578 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.9 pp -114.29 14.17 17.99 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.966 0.413 . . . . 0.0 110.635 178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.625 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -136.18 -52.39 0.72 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.441 -178.117 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.493 ' C ' HD22 ' A' ' 9' ' ' LEU . 30.9 p -106.12 -4.74 20.01 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.493 HD22 ' C ' ' A' ' 8' ' ' THR . 4.0 mm? -124.39 -50.75 1.76 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.19 0.519 . . . . 0.0 110.601 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 10' ' ' LEU . 6.6 mt 65.19 -68.74 0.11 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.928 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.1 p -59.6 -10.49 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.467 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 78.6 ttt180 -82.14 1.28 36.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.261 0.553 . . . . 0.0 110.694 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.5 t -145.15 101.2 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.802 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -53.85 94.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.676 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -61.94 123.43 18.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -80.72 143.5 32.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p 50.56 -166.17 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.203 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 t -104.3 -26.34 12.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.99 177.53 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.1 tt -94.4 140.21 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.2 -70.12 1.32 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.442 -0.79 . . . . 0.0 111.059 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -97.24 23.04 7.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.659 0.266 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 2.4 t30 -71.46 -2.58 17.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.683 ' HE3' HD22 ' A' ' 6' ' ' LEU . 70.6 p-90 -46.49 -26.43 0.86 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.91 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 3' ' ' TRP . 26.5 m -32.53 87.7 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.168 0 O-C-N 124.112 0.883 . . . . 0.0 110.587 -179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 142.0 1.3 1.35 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.809 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.683 HD22 ' HE3' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -76.37 17.97 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.41 . . . . 0.0 112.086 -179.318 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -128.35 -32.98 2.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.675 -179.425 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.9 p -143.67 9.09 1.55 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.741 0.305 . . . . 0.0 111.695 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.483 ' O ' HG23 ' A' ' 13' ' ' VAL . 79.5 mt -144.07 17.19 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.261 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.858 ' H ' HD12 ' A' ' 10' ' ' LEU . 5.2 mp -42.17 -65.76 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.369 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.6 t -78.64 24.68 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.268 0.556 . . . . 0.0 109.945 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.469 ' H ' ' C ' ' A' ' 10' ' ' LEU . 97.8 mtt180 -136.41 6.88 3.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.793 -179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 9' ' ' LEU . 23.0 t -80.69 -5.16 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.908 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 54.55 89.18 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.927 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -99.27 -60.81 1.46 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.028 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -87.07 12.38 11.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -60.01 130.66 47.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.1 m 60.23 98.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.47 160.17 15.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.0 132.76 31.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.27 -154.7 25.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.0 tpp180 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.93 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB2' ' CD1' ' A' ' 3' ' ' TRP . 24.8 ptt? -95.75 124.48 39.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 3.2 t30 -121.25 6.81 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.697 ' CE3' HD22 ' A' ' 6' ' ' LEU . 70.2 p-90 -50.49 -21.27 1.42 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.708 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 3' ' ' TRP . 28.7 m -36.57 89.13 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.885 0.741 . . . . 0.0 110.276 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 135.13 27.94 0.45 Allowed Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.303 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.697 HD22 ' CE3' ' A' ' 3' ' ' TRP . 0.2 OUTLIER -106.6 15.01 26.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.298 0.57 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.602 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -129.81 -56.73 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.712 -177.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.1 p -112.27 19.6 17.54 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.574 ' HB3' ' HB2' ' A' ' 12' ' ' ARG . 67.2 mt -141.82 -57.22 0.47 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.915 0.388 . . . . 0.0 111.524 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.7 mp 40.62 -86.81 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.962 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 9' ' ' LEU . 40.2 t -67.16 -0.05 3.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.812 0.339 . . . . 0.0 111.057 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.574 ' HB2' ' HB3' ' A' ' 9' ' ' LEU . 70.5 mtp180 -107.85 15.63 24.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.476 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 5' ' ' GLY . 13.1 t -123.51 88.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.177 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.418 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -54.97 97.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 179.701 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -54.39 -36.05 63.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.11 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -99.17 -81.17 0.46 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.019 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 m -157.65 -77.81 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 79.0 m -157.85 -70.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.02 -179.44 6.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.7 mt -107.24 135.03 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.18 123.81 1.77 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.456 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.878 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.444 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -143.64 120.12 11.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.886 0.374 . . . . 0.0 111.009 . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.74 23.22 6.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.521 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.594 ' HE3' ' HG ' ' A' ' 6' ' ' LEU . 67.5 p-90 -64.69 -22.5 66.99 Favored 'General case' 0 CA--C 1.508 -0.639 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.154 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' TRP . 51.3 m -33.38 86.25 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 124.289 0.993 . . . . 0.0 111.182 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 154.89 -6.64 0.29 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.933 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.594 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.3 pp -76.61 15.61 0.61 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.166 0.483 . . . . 0.0 111.925 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -133.78 -23.97 1.76 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.838 -179.355 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.8 p -144.22 4.54 1.24 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 13' ' ' VAL . 64.2 mt -141.02 9.01 2.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.696 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.72 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -53.04 142.21 20.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.255 179.409 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 t 60.83 8.97 2.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.357 0.598 . . . . 0.0 109.495 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 57.9 ttt180 -133.4 -5.32 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.16 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 9' ' ' LEU . 22.3 t -71.47 -6.68 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.227 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 54.73 22.93 4.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.926 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -68.18 -69.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.9 m80 59.92 -168.43 0.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -57.29 135.13 56.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 t -81.36 154.47 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.203 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.16 124.51 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 tp -147.74 138.78 17.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.52 21.93 65.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.498 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 22' ' ' ARG . 4.2 mmp_? . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -88.13 108.33 19.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.653 0.263 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -115.7 22.04 13.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.561 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.579 ' O ' ' N ' ' A' ' 5' ' ' GLY . 70.1 p-90 -72.58 -9.33 58.45 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.389 179.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.411 HG23 ' OH ' ' A' ' 7' ' ' TYR . 69.7 m -48.23 84.39 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 123.747 0.654 . . . . 0.0 110.503 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.69 ' HA3' ' HB2' ' A' ' 12' ' ' ARG . . . 155.29 18.5 0.04 OUTLIER Glycine 0 CA--C 1.523 0.589 0 C-N-CA 120.828 -0.701 . . . . 0.0 113.089 -178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.571 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.9 pp -107.15 15.69 24.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.115 0.483 . . . . 0.0 110.505 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -138.99 -52.35 0.56 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.566 -178.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.9 p -110.94 24.3 13.1 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' A' ' 11' ' ' SER . 0.1 OUTLIER -153.24 -53.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.553 0.692 . . . . 0.0 110.453 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.1 mt 58.24 2.79 0.21 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 114.621 -1.172 . . . . 0.0 112.209 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.569 ' HB3' HD12 ' A' ' 9' ' ' LEU . 35.1 t -109.81 3.6 20.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.69 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 99.7 mtt180 -111.34 4.2 18.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.605 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.832 HG13 ' H ' ' A' ' 15' ' ' ARG . 11.3 p -109.55 -5.94 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.054 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.586 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER 57.16 12.87 1.42 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.351 -179.31 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.832 ' H ' HG13 ' A' ' 13' ' ' VAL . 99.0 mtt180 57.55 -178.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.147 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.2 m80 57.2 -172.88 0.08 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.217 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -107.99 120.14 41.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -130.32 -21.15 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.83 177.8 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.7 mt -86.27 112.77 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.16 -93.3 2.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.882 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.441 ' HG3' ' HD1' ' A' ' 3' ' ' TRP . 12.4 tpt -79.67 101.44 8.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.601 0.238 . . . . 0.0 110.733 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.476 ' ND2' ' N ' ' A' ' 3' ' ' TRP . 1.9 t-20 -88.14 133.18 34.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.287 0.565 . . . . 0.0 111.27 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.595 ' HE3' ' HG ' ' A' ' 6' ' ' LEU . 64.8 p-90 -178.64 -31.19 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.213 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' TRP . 40.8 m -24.38 83.92 0.0 OUTLIER 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 124.473 1.108 . . . . 0.0 111.269 -179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . 159.42 -8.36 0.15 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.852 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.595 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.5 pp -77.57 15.97 0.72 Allowed 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.558 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -130.54 -27.83 2.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.57 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 p -145.86 13.06 1.3 Allowed 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.56 ' HA ' ' HB2' ' A' ' 12' ' ' ARG . 95.7 mt -147.55 11.78 1.0 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 0.0 111.37 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.87 ' H ' HD12 ' A' ' 10' ' ' LEU . 5.1 mp -40.71 -72.03 0.07 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.192 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -78.64 0.09 27.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.383 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.56 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 57.2 mtp180 -105.39 15.8 26.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 10' ' ' LEU . 3.9 m -66.05 -119.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.528 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.473 ' HB2' ' HB2' ' A' ' 17' ' ' SER . 33.2 m-80 57.39 25.87 11.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 64.4 -81.78 0.03 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -81.82 -72.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 14' ' ' ASN . 35.8 t 59.67 13.23 3.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.5 t -102.69 -28.29 12.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.3 115.56 30.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.4 pt -69.41 149.54 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.73 -113.05 4.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.071 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -94.28 115.73 28.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 1.8 t30 -133.87 -12.14 2.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.065 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.565 ' O ' ' N ' ' A' ' 5' ' ' GLY . 38.8 p-90 -34.33 -72.22 0.05 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.345 -178.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.482 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.3 m 24.35 39.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.655 0.597 . . . . 0.0 111.079 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -167.58 29.0 0.17 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.796 -178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.554 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.3 pp -116.48 17.04 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.344 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -136.59 -47.91 0.62 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.201 -178.787 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.509 HG23 ' CD2' ' A' ' 7' ' ' TYR . 69.2 p -114.14 11.48 17.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 111.501 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' SER . 68.3 mt -137.82 -59.99 0.65 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.554 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.632 ' N ' HD12 ' A' ' 10' ' ' LEU . 4.5 mp 45.35 -86.21 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.181 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' LEU . 52.9 m -88.42 20.36 3.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.075 0.464 . . . . 0.0 110.044 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HD3' HD23 ' A' ' 9' ' ' LEU . 75.3 ttt180 -129.21 4.53 5.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.537 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.841 HG13 ' H ' ' A' ' 15' ' ' ARG . 13.6 p -88.08 -3.3 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.112 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 58.14 12.14 1.77 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.464 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.841 ' H ' HG13 ' A' ' 13' ' ' VAL . 29.5 mmm180 57.75 -85.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.255 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -137.29 149.14 46.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.354 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -144.6 125.13 13.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -75.99 -11.47 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.7 106.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.259 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 42.1 pt -85.64 19.75 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.41 -37.56 0.27 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.498 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.955 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 58.67 97.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.909 0.385 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.489 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 2.0 t30 -110.81 -9.16 14.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.025 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.582 ' O ' ' N ' ' A' ' 5' ' ' GLY . 47.7 p-90 -33.44 -67.63 0.12 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.19 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.505 ' C ' ' O ' ' A' ' 3' ' ' TRP . 6.0 m 19.89 44.75 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.928 0.767 . . . . 0.0 111.166 -179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.612 ' HA2' ' HB2' ' A' ' 9' ' ' LEU . . . -174.11 26.17 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.541 -0.837 . . . . 0.0 113.045 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.562 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.4 pp -112.14 18.88 18.29 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -120.48 -44.05 2.48 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.054 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.509 ' C ' HD22 ' A' ' 9' ' ' LEU . 65.1 p -140.93 5.67 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.612 ' HB2' ' HA2' ' A' ' 5' ' ' GLY . 3.6 mm? -127.38 12.5 7.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.875 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.864 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.1 mp -43.69 -64.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 179.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -85.95 14.39 6.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.12 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.526 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 98.0 mtt180 -127.17 9.34 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.114 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.846 HG13 ' H ' ' A' ' 15' ' ' ARG . 12.4 p -111.25 -9.31 11.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.081 0.467 . . . . 0.0 111.283 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.575 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER 53.95 16.59 1.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.543 -179.283 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.846 ' H ' HG13 ' A' ' 13' ' ' VAL . 67.0 mtp180 56.87 -173.3 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.031 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.4 m80 58.14 -172.07 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 19' ' ' ALA . 47.2 t -109.91 95.99 5.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.98 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.6 m 68.22 -9.42 0.5 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.435 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 17' ' ' SER . . . 58.98 179.69 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.318 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.7 mt 64.7 129.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.401 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.69 -161.29 21.15 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.441 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.019 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt 60.4 101.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.164 0.29 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.673 HD22 ' N ' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -90.87 126.94 36.19 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.219 0.533 . . . . 0.0 110.839 179.773 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.673 ' N ' HD22 ' A' ' 2' ' ' ASN . 39.3 p-90 -166.17 -59.43 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.878 179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.536 ' C ' ' O ' ' A' ' 3' ' ' TRP . 9.7 m 13.57 56.3 0.0 OUTLIER 'General case' 0 C--O 1.232 0.165 0 O-C-N 124.355 1.034 . . . . 0.0 111.356 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -171.21 -20.47 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.625 -178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.615 ' C ' HD22 ' A' ' 10' ' ' LEU . 2.9 pp -67.17 18.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -136.24 -25.1 1.21 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.5 p -143.95 8.55 1.47 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 111.4 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.503 HD23 ' HD2' ' A' ' 12' ' ' ARG . 98.3 mt -151.0 12.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.978 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.016 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -56.96 -44.59 82.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.558 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.8 m -88.99 14.41 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HD2' HD23 ' A' ' 9' ' ' LEU . 97.5 mtt180 -135.28 12.03 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.034 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' A' ' 15' ' ' ARG . 3.1 p -112.63 89.55 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.422 0.63 . . . . 0.0 111.639 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -71.21 6.3 1.75 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.673 178.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.463 ' H ' ' C ' ' A' ' 13' ' ' VAL . 83.0 mtm180 63.56 -176.68 0.15 Allowed 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.051 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -96.82 147.82 23.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 m -67.68 167.61 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.8 t -78.01 148.26 34.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.28 141.64 28.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.6 tt -90.5 140.69 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.28 104.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.019 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt -78.78 103.47 8.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.765 0.317 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' TRP . 1.1 t30 -115.56 -18.29 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.027 179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.576 ' O ' ' N ' ' A' ' 5' ' ' GLY . 37.3 p-90 -34.51 -71.8 0.06 Allowed 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.34 -178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.2 m 24.95 38.58 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.663 0.602 . . . . 0.0 110.971 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -170.01 30.23 0.14 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.939 -178.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.529 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.6 pp -114.21 23.69 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.998 0.428 . . . . 0.0 111.827 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -130.35 -41.58 1.23 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.98 179.859 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.4 p -136.94 9.63 3.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 12' ' ' ARG . 90.8 mt -142.77 22.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.023 -179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -39.04 -76.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.254 179.608 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.6 p -73.34 -1.18 17.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 0.0 110.193 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.5 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 98.3 mtt180 -103.72 12.78 34.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.804 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.685 HG13 ' H ' ' A' ' 15' ' ' ARG . 7.3 p -85.05 0.64 5.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.308 -179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.584 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.8 OUTLIER 56.56 17.71 3.19 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.539 -179.4 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.685 ' H ' HG13 ' A' ' 13' ' ' VAL . 15.4 ptp180 41.72 -159.56 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.693 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -76.17 131.1 39.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.3 m -142.13 169.91 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.9 m -103.23 130.0 50.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.81 115.86 30.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 20' ' ' ILE . 3.8 mp -92.21 126.29 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.62 77.98 1.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.911 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -72.26 149.68 44.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.753 0.311 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.476 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 1.9 t30 -140.14 -11.06 1.11 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.307 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.585 ' O ' ' N ' ' A' ' 5' ' ' GLY . 49.0 p-90 -33.36 -66.24 0.15 Allowed 'General case' 0 CA--C 1.517 -0.293 0 O-C-N 123.09 0.244 . . . . 0.0 111.083 -178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.508 ' C ' ' O ' ' A' ' 3' ' ' TRP . 4.8 m 17.87 46.07 0.0 OUTLIER 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.968 0.793 . . . . 0.0 111.469 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.671 ' HA3' ' HB2' ' A' ' 12' ' ' ARG . . . -175.87 24.31 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.493 -0.86 . . . . 0.0 112.993 -178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.551 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 1.5 pp -107.0 21.98 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.203 0.525 . . . . 0.0 110.645 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.622 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -143.39 -42.32 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.387 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.403 HG23 ' CD2' ' A' ' 7' ' ' TYR . 36.9 p -118.34 16.71 13.92 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 mt -150.42 -46.66 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.486 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.8 mt 54.74 12.58 0.59 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.652 -1.158 . . . . 0.0 111.424 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.1 t -110.25 -5.24 15.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.671 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 96.1 mtt180 -101.59 4.94 41.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.461 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.7 t -94.54 -134.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.591 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.447 HD22 ' C ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -118.09 3.58 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 -179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.408 ' N ' HD22 ' A' ' 14' ' ' ASN . 99.5 mtt180 -82.38 162.99 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -148.94 143.19 26.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.004 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.3 t -108.31 139.67 42.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 54.4 m -75.34 110.64 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.066 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.06 126.39 40.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 tp -96.11 139.66 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.05 134.96 12.64 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.375 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.906 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtt -135.58 106.75 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.72 0.295 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.445 ' O ' ' ND2' ' A' ' 2' ' ' ASN . 1.0 OUTLIER -109.99 -19.45 13.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.571 ' O ' ' N ' ' A' ' 5' ' ' GLY . 40.0 p-90 -34.52 -70.8 0.07 Allowed 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.3 0.375 . . . . 0.0 111.354 -178.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.492 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.5 m 23.64 40.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.737 0.648 . . . . 0.0 111.021 -178.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -172.72 29.54 0.1 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.0 -178.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.597 ' HA ' ' HG ' ' A' ' 10' ' ' LEU . 1.4 pp -111.64 20.07 17.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.007 0.432 . . . . 0.0 111.751 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -125.76 -39.35 2.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.211 -179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.3 p -143.0 14.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.371 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.529 ' HB3' HG13 ' A' ' 13' ' ' VAL . 90.0 mt -143.09 11.9 1.79 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.847 HD12 ' H ' ' A' ' 10' ' ' LEU . 5.3 mp -40.86 -71.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.694 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.4 t -82.38 16.12 2.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.694 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.465 ' HD3' HD23 ' A' ' 9' ' ' LEU . 76.6 mtp180 -113.94 -6.39 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.46 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.529 HG13 ' HB3' ' A' ' 9' ' ' LEU . 16.4 m -107.46 -134.31 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.688 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -128.14 -38.02 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.755 0.312 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 61.78 108.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.221 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 -158.83 141.18 14.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.3 m -118.71 -11.0 9.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.7 m 60.17 99.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.236 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.3 121.22 13.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.094 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.5 mt -90.23 115.14 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.03 -111.32 0.48 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.826 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -96.39 114.58 26.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 2' ' ' ASN . 1.8 t30 -130.37 -11.35 4.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.003 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.559 ' O ' ' N ' ' A' ' 5' ' ' GLY . 42.2 p-90 -33.23 -68.19 0.11 Allowed 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 123.292 0.37 . . . . 0.0 111.227 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.485 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.0 m 20.26 44.34 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 O-C-N 123.878 0.736 . . . . 0.0 111.459 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 3' ' ' TRP . . . -169.02 19.67 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.087 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.552 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.5 pp -107.26 18.87 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.633 -0.334 . . . . 0.0 111.433 179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.594 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -139.25 -52.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 -178.664 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.435 HG23 ' CD2' ' A' ' 7' ' ' TYR . 71.8 p -114.27 18.82 16.76 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.607 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 80.9 mt -142.15 -57.47 0.46 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.948 0.404 . . . . 0.0 111.558 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.617 ' N ' HD12 ' A' ' 10' ' ' LEU . 5.1 mp 40.89 -84.91 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.974 -179.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 9' ' ' LEU . 79.8 p -75.4 8.8 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.983 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.607 ' HD2' ' HA ' ' A' ' 9' ' ' LEU . 96.5 mtt180 -113.84 9.58 17.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 5' ' ' GLY . 2.0 t -105.2 -131.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.68 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.504 HD22 ' N ' ' A' ' 15' ' ' ARG . 0.2 OUTLIER -78.91 -2.54 40.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.259 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.504 ' N ' HD22 ' A' ' 14' ' ' ASN . 29.8 tpt180 63.85 151.94 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -77.89 111.29 13.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.0 p -94.83 -25.98 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.705 HG22 ' H ' ' A' ' 20' ' ' ILE . 32.0 m 61.48 -86.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 55.16 22.5 4.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.344 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.705 ' H ' HG22 ' A' ' 18' ' ' THR . 7.9 tp -134.67 141.86 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.034 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.67 91.85 0.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.921 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -139.49 90.29 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.346 . . . . 0.0 111.074 . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.478 HD22 ' N ' ' A' ' 3' ' ' TRP . 1.2 t-20 -100.3 124.79 46.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.271 0.558 . . . . 0.0 111.051 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.539 ' O ' ' N ' ' A' ' 5' ' ' GLY . 29.9 p-90 -164.47 -68.09 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.847 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' TRP . 5.4 m 22.23 42.94 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 O-C-N 124.022 0.826 . . . . 0.0 111.176 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.67 ' HA3' ' HB2' ' A' ' 12' ' ' ARG . . . -170.29 21.88 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.481 -0.866 . . . . 0.0 113.162 -178.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.522 ' HG ' ' HE3' ' A' ' 3' ' ' TRP . 2.0 pp -107.11 22.24 16.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 110.703 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.589 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -147.14 -37.11 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.219 -178.686 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.417 HG23 ' CD2' ' A' ' 7' ' ' TYR . 35.5 p -120.83 15.03 11.73 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -178.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.1 mt -151.02 -44.46 0.12 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.5 0.667 . . . . 0.0 110.759 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.9 mt 54.24 13.66 0.64 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.616 -1.175 . . . . 0.0 111.581 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.7 t -112.58 0.95 15.61 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.67 ' HB2' ' HA3' ' A' ' 5' ' ' GLY . 94.6 mtt180 -112.81 2.42 15.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.602 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.476 ' HB ' ' HB3' ' A' ' 6' ' ' LEU . 2.5 p -116.86 93.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.367 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.592 HD22 ' N ' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -62.98 -3.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.084 178.779 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 13' ' ' VAL . 99.2 mtt180 65.95 163.57 0.17 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.122 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.0 m80 58.28 96.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.054 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -107.92 131.88 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -162.9 149.05 12.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.243 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.2 100.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.34 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.0 mt -96.11 131.07 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.31 -145.41 4.56 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.581 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.516 -0.754 . . . . 0.0 110.966 -179.962 . . . . . . . . 0 0 . 1 stop_ save_