data_2p81_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 2p81 _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 ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.749 0.309 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -26.01 38.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.435 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -63.68 -43.49 96.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.238 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.64 -37.34 70.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.63 -38.97 58.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.998 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 HD13 ' CH2' ' A' ' 48' ' ' TRP . 13.4 mt -64.13 -37.08 86.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.747 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.7 p -61.2 -53.51 55.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.9 p -68.36 -38.51 81.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.209 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.26 -48.34 68.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.585 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -84.88 -20.49 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.3 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.8 27.78 66.29 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.429 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.37 163.42 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.695 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.54 152.05 22.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.755 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 61.0 mt-10 -52.51 -29.11 23.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.98 71.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.64 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -79.94 -27.95 39.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.223 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.479 HG22 ' CE1' ' A' ' 49' ' ' PHE . 20.4 mm -65.57 -39.56 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.79 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -50.44 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.182 0.515 . . . . 0.0 109.844 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -43.02 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.016 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 6.7 t90 -58.14 -50.46 73.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.403 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 18.0 m-85 -69.71 -42.76 73.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.369 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.77 -31.07 71.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.47 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -74.58 -33.25 62.63 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.613 0.244 . . . . 0.0 111.592 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -30.46 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.447 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -62.74 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.244 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.27 -43.24 91.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -40.68 57.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.374 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.437 HD13 ' CH2' ' A' ' 48' ' ' TRP . 14.6 mt -64.14 -37.43 87.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.97 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 t -60.58 -49.6 76.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -38.41 81.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -49.0 67.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.424 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mp -84.99 -20.58 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.327 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.56 30.34 66.68 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.85 163.64 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.421 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -83.48 148.89 26.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.709 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 3.3 mm-40 -52.61 -29.19 24.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.126 0.489 . . . . 0.0 110.544 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.2 70.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.723 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -80.85 -27.75 36.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.203 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.466 HG23 ' CD1' ' A' ' 49' ' ' PHE . 21.5 mm -65.6 -39.34 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.942 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -57.54 -49.59 75.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.287 0.565 . . . . 0.0 109.983 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -42.48 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.901 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.1 t90 -56.6 -50.18 72.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.524 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.554 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 17.5 m-85 -69.54 -42.77 74.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.298 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -63.05 -31.25 72.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.235 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -80.53 -31.2 37.1 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 120.883 0.373 . . . . 0.0 110.683 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.76 0.315 . . . . 0.0 111.418 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -25.48 39.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.512 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HG2' HG21 ' A' ' 45' ' ' ILE . 42.7 mtp180 -61.43 -42.27 98.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 0.0 111.232 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -67.44 -44.7 78.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -75.5 -36.84 60.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.744 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 HD13 ' CH2' ' A' ' 48' ' ' TRP . 13.2 mt -64.13 -40.55 96.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.142 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 86.5 p -58.13 -49.49 76.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.681 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -68.38 -39.73 81.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.656 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -48.53 69.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.502 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 mp -84.87 -20.4 30.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.294 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.87 27.41 70.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.14 163.58 13.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -86.2 156.25 20.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.628 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.0 mt-10 -55.27 -30.15 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.134 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.46 -34.43 70.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.085 0.469 . . . . 0.0 109.782 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -80.31 -28.09 38.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.129 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.467 HG22 ' CE1' ' A' ' 49' ' ' PHE . 17.1 mm -65.6 -39.46 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.988 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -49.17 76.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.208 0.528 . . . . 0.0 109.78 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.4 mp -68.73 -40.24 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.82 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.559 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 9.4 t90 -58.09 -50.27 74.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.797 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 20.3 m-85 -69.58 -42.84 73.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.468 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.37 -30.91 69.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ILE . 23.1 t-20 -75.9 -35.44 59.82 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.758 0.313 . . . . 0.0 111.221 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 2.0 tttm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.976 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.847 0.356 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -80.08 -22.92 41.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.683 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -57.53 -39.74 77.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 111.083 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -46.15 87.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.999 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -75.62 -42.11 52.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.647 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.83 -40.57 96.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 0.0 110.986 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.4 t -64.7 -50.59 66.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.572 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.0 m -68.34 -41.06 81.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.706 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.78 -46.57 81.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.466 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.2 mp -84.98 -16.39 41.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.373 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.33 29.67 69.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.135 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.34 157.86 21.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.77 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.04 155.86 19.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.517 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.1 mt-10 -51.34 -29.22 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.116 0.484 . . . . 0.0 110.514 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.81 73.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.631 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -79.2 -27.86 42.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.256 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.478 HG23 ' CE1' ' A' ' 49' ' ' PHE . 23.5 mm -65.61 -39.42 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.813 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -57.97 -49.68 75.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.244 0.545 . . . . 0.0 109.823 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.75 -41.66 82.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.862 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.567 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.6 t90 -58.47 -50.46 73.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.527 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 18.4 m-85 -69.56 -42.74 74.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.555 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -68.11 -30.97 70.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.698 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -74.4 -28.98 61.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.041 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 4.4 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.0 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -79.84 -23.5 41.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.46 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' CG ' HG23 ' A' ' 45' ' ' ILE . 3.5 mtp180 -60.14 -41.29 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 111.269 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.45 -45.83 89.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.965 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.58 -42.91 50.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.565 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.466 HD13 ' CH2' ' A' ' 48' ' ' TRP . 11.9 mt -64.17 -40.67 96.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 111.014 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.1 t -65.53 -49.78 67.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.615 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -68.36 -43.81 76.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.721 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.32 -45.94 85.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.449 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 6.9 mt -84.93 -20.31 30.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.216 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.63 27.19 71.51 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.402 ' HG ' ' CB ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.68 161.5 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.96 156.34 19.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.648 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 64.4 mt-10 -53.94 -29.78 43.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.19 70.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.743 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -80.27 -28.08 38.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.277 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.466 HG21 ' CE1' ' A' ' 49' ' ' PHE . 20.3 mm -65.59 -39.44 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -57.56 -49.34 76.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.243 0.544 . . . . 0.0 109.943 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -41.44 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.814 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.587 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.5 t90 -58.35 -50.69 72.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.371 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.587 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 18.4 m-85 -69.87 -44.21 70.28 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.056 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.11 -31.11 72.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.455 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -73.8 -35.87 64.95 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 1.6 mttm . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.021 0.439 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -80.22 -23.63 40.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.434 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -64.26 -45.63 87.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -75.61 -38.56 58.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.656 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD12 ' CH2' ' A' ' 48' ' ' TRP . 12.2 mt -64.17 -37.53 87.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 111.017 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.29 -53.63 52.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.506 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -38.42 80.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.495 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.1 -48.53 70.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.379 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.418 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 5.4 mt -84.8 -20.48 30.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.244 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.46 22.2 79.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.789 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.418 ' HG ' ' CB ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -104.63 159.93 15.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.749 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.22 154.0 24.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.66 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.8 mm-40 -52.21 -29.51 22.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.073 0.463 . . . . 0.0 110.599 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.5 73.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.517 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -79.52 -27.76 41.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.203 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.486 HD13 HG23 ' A' ' 45' ' ' ILE . 24.5 mm -65.51 -39.6 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -49.58 76.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.204 0.526 . . . . 0.0 109.952 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -42.31 82.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.876 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.571 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.0 t90 -57.77 -50.3 73.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.426 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 17.8 m-85 -69.64 -42.79 73.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.458 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -65.85 -31.09 71.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.433 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.81 -38.79 80.13 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.724 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.739 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.817 0.342 . . . . 0.0 111.463 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -80.14 -23.32 41.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.309 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.416 ' CD ' HG22 ' A' ' 45' ' ' ILE . 7.0 mtm-85 -57.98 -40.3 80.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.966 0.412 . . . . 0.0 111.021 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -40.06 75.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.18 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.59 -39.06 58.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.423 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' CD2' ' CZ2' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -64.35 -39.58 94.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.119 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.5 p -60.93 -48.85 79.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 t -68.28 -43.65 77.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.531 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.86 83.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.494 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mt -84.86 -20.44 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.306 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.52 29.7 67.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.44 163.34 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.02 155.44 20.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.7 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 28.0 mt-10 -53.78 -29.51 40.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.064 0.459 . . . . 0.0 110.592 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.79 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.245 0.545 . . . . 0.0 109.694 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -78.2 -27.74 47.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.362 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.465 HG23 ' CE1' ' A' ' 49' ' ' PHE . 14.9 mm -65.56 -39.47 85.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.102 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -57.29 -49.48 75.96 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.246 0.546 . . . . 0.0 109.93 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.82 -40.5 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.843 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.555 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 9.2 t90 -57.19 -50.44 72.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.652 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 20.0 m-85 -69.59 -42.68 74.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.44 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -66.63 -31.01 71.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -78.48 -41.31 32.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.785 0.326 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -80.09 -23.82 41.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.284 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.45 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 111.095 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -63.64 -43.59 96.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -42.25 55.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.277 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.426 HD23 ' CZ2' ' A' ' 48' ' ' TRP . 17.9 mt -64.21 -37.35 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.5 p -67.72 -52.0 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.697 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 p -68.24 -41.56 80.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.52 -46.29 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.439 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.7 mt -84.79 -20.63 30.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.202 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.99 24.95 75.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.708 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.73 163.66 12.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.971 0.415 . . . . 0.0 110.854 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.05 155.69 20.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.403 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.418 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 16.2 mt-10 -52.51 -29.37 24.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.079 0.466 . . . . 0.0 110.58 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.9 73.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.602 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -28.24 44.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.301 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.48 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 21.0 mm -65.55 -39.38 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.025 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -49.21 75.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.249 0.547 . . . . 0.0 109.681 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -39.86 80.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.63 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.521 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 10.6 t90 -56.12 -50.25 71.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.698 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 21.3 m-85 -69.4 -42.71 74.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.507 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -67.38 -30.95 70.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.565 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -42.55 90.47 Favored 'General case' 0 C--N 1.334 -0.065 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.019 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.806 0.336 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -80.09 -23.49 41.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.335 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -58.2 -40.99 83.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 111.086 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -42.06 76.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.055 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -75.65 -39.08 58.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.791 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.437 HD12 ' CH2' ' A' ' 48' ' ' TRP . 5.5 mt -65.39 -40.69 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.128 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.1 p -62.48 -48.57 79.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.641 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -38.44 81.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.706 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.48 -51.1 55.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.583 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.79 -20.14 31.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.363 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.97 28.47 68.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.53 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.89 162.49 13.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.31 156.32 20.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.487 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.09 -29.79 32.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.06 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.49 71.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.84 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -28.53 39.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.247 177.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.481 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 10.4 mm -65.62 -39.47 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.017 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -49.31 75.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.165 0.507 . . . . 0.0 109.879 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.76 -41.32 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.846 0.831 . . . . 0.0 109.615 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.9 t90 -55.39 -50.33 70.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.31 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 19.0 m-85 -69.7 -42.79 73.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -31.19 72.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.535 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.6 -41.77 65.24 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.802 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.912 0.387 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.85 -23.23 42.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.373 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.17 -43.43 87.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 111.022 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -64.41 -41.75 96.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.038 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 14.3 mt-30 -75.66 -43.95 44.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.574 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD2' ' CZ2' ' A' ' 48' ' ' TRP . 3.3 mt -64.12 -40.62 96.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 111.238 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.1 t -65.23 -45.12 85.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.771 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -68.4 -46.66 69.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.83 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -64.51 -45.67 86.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.567 -179.068 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.404 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 11.0 mt -84.86 -20.74 30.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.418 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.59 29.2 71.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.322 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -108.76 162.64 13.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 0.0 110.837 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.97 155.79 20.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.725 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.3 mp0 -53.26 -29.53 33.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.82 -36.72 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.181 0.515 . . . . 0.0 109.631 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.49 -27.87 46.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.274 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 19.2 mm -65.63 -39.43 84.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.031 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -56.68 -48.86 76.7 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.181 0.515 . . . . 0.0 109.815 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.72 -40.06 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.695 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 10.0 t90 -57.5 -50.4 73.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.648 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.554 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 20.6 m-85 -69.59 -42.79 73.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.422 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -66.55 -31.14 71.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.419 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -74.36 -40.06 62.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 tttm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.12 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -27.5 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.579 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -41.47 91.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -37.89 68.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -34.76 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.345 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.429 HD11 ' CH2' ' A' ' 48' ' ' TRP . 0.4 OUTLIER -63.9 -40.38 96.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.923 -179.733 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -53.49 57.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.753 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 p -68.38 -38.44 81.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.567 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.09 -48.94 64.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.623 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mp -84.85 -19.99 31.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.23 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.22 28.79 67.48 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.431 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.24 163.32 13.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 110.783 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.06 154.19 20.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.459 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 79.3 mm-40 -51.17 -28.98 12.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.138 0.494 . . . . 0.0 110.389 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.57 -35.6 72.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.713 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -28.46 41.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.146 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.472 HG22 HD13 ' A' ' 45' ' ' ILE . 25.9 mm -65.67 -39.4 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -49.97 75.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.191 0.519 . . . . 0.0 109.924 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.99 -42.62 82.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.111 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.574 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.1 t90 -59.11 -50.31 74.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.682 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 18.2 m-85 -69.6 -42.64 74.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.253 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -31.02 72.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.445 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.59 -37.58 79.94 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.889 0.376 . . . . 0.0 110.828 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.055 -179.837 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.798 0.332 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -23.35 58.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.626 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.408 ' HG2' HG23 ' A' ' 45' ' ' ILE . 6.1 mtp180 -58.25 -42.44 86.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.958 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -40.93 87.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.983 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -75.54 -43.23 49.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.565 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD11 ' CH2' ' A' ' 48' ' ' TRP . 2.2 mt -64.22 -39.75 94.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 110.757 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.8 p -64.42 -51.71 61.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -38.91 82.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.412 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -67.53 -48.34 67.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.579 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 mp -84.85 -20.55 30.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.319 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.3 28.31 70.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.511 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.8 163.72 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.787 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.55 150.97 24.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.61 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.4 mt-10 -52.88 -29.29 27.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.098 0.475 . . . . 0.0 110.571 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.91 71.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.64 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -79.93 -27.85 39.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.227 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.472 HG21 ' CE2' ' A' ' 49' ' ' PHE . 18.5 mm -65.58 -39.41 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.009 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -57.03 -49.18 76.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.33 0.586 . . . . 0.0 109.828 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.81 -40.78 81.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.658 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 9.5 t90 -57.02 -50.34 73.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.643 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 19.2 m-85 -69.67 -42.76 73.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.419 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -66.82 -31.04 71.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.579 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.95 -37.85 58.19 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.892 0.377 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -80.15 -23.53 41.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.866 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -58.04 -37.45 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -42.7 73.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -75.42 -38.73 59.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.25 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.42 HD21 ' CZ2' ' A' ' 48' ' ' TRP . 1.9 mt -64.11 -39.61 94.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 110.922 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -65.86 -51.88 55.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -40.26 82.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.596 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -46.73 77.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.424 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mt -84.87 -20.6 30.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.313 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.04 27.9 71.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.41 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.09 163.59 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.956 0.408 . . . . 0.0 110.802 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.53 151.41 23.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.589 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 1.1 tt0 -52.84 -29.14 26.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.108 0.48 . . . . 0.0 110.547 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.77 71.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.636 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -80.03 -27.88 39.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.198 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.469 HG21 ' CE1' ' A' ' 49' ' ' PHE . 23.0 mm -65.55 -39.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -49.14 76.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.253 0.549 . . . . 0.0 109.901 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -41.62 82.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.832 178.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.549 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.9 t90 -56.85 -50.27 72.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.612 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 19.2 m-85 -69.56 -42.77 74.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.345 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.97 -30.97 71.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.496 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -40.68 78.52 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HE3' ' CZ2' ' A' ' 48' ' ' TRP . 8.6 mttm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.807 0.337 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.38 -24.74 39.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.499 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -61.28 -42.43 98.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 111.251 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -46.21 85.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.171 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -75.53 -39.71 57.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.525 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.448 HD12 ' CH2' ' A' ' 48' ' ' TRP . 16.1 mt -64.05 -40.72 96.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.763 0.316 . . . . 0.0 111.123 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -50.67 61.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.698 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -68.52 -39.62 81.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.466 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -67.01 -49.4 65.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.458 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 mt -84.77 -15.57 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.357 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.71 32.03 70.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.291 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.04 156.15 24.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.24 156.02 21.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.605 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -50.27 -29.78 10.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.07 0.462 . . . . 0.0 110.448 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 46' ' ' LYS . . . -58.99 -33.1 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.944 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -82.33 -27.65 32.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.225 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.449 HG21 ' CE2' ' A' ' 49' ' ' PHE . 15.2 mm -65.72 -39.73 85.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.289 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 31.5 pttt -59.18 -47.88 83.68 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 109.91 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -43.55 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 0.0 109.682 178.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 6.3 t90 -55.39 -50.37 69.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.274 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 15.7 m-85 -69.83 -42.76 73.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.015 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.46 -31.19 72.28 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.52 -36.31 33.38 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.795 0.331 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -80.3 -23.67 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -61.46 -43.08 99.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -71.71 -39.48 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -74.71 -33.21 62.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.431 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 12.7 mt -64.04 -40.8 97.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.1 t -61.65 -53.51 55.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.976 0.417 . . . . 0.0 110.607 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -68.49 -38.26 80.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.509 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.58 -53.43 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.657 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.2 mp -85.24 -11.72 54.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.37 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.41 32.23 71.65 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.562 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mt -101.76 154.86 18.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 111.504 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -87.36 147.18 25.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.354 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -50.6 -32.65 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.125 0.488 . . . . 0.0 110.062 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.52 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.49 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -77.41 -29.42 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.558 0.694 . . . . 0.0 109.498 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.497 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 1.0 OUTLIER -65.89 -39.09 83.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.134 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -55.72 -48.27 75.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.213 0.53 . . . . 0.0 109.644 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -40.52 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.548 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.532 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 9.7 t90 -55.36 -49.97 70.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.724 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.532 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 19.8 m-85 -69.43 -42.59 74.79 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.295 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.44 -31.03 71.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.559 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -79.1 -35.52 42.15 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.809 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 0.0 111.671 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -80.34 -27.87 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.34 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -59.28 -40.46 86.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.21 -44.73 87.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.18 -38.22 60.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 HD12 ' CH2' ' A' ' 48' ' ' TRP . 10.9 mt -64.05 -38.75 92.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -52.77 52.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.648 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.0 m -68.27 -40.66 81.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.446 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -64.61 -47.4 78.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.238 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.4 mt -84.87 -17.09 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.233 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.36 29.57 69.99 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.81 159.52 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.947 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.05 155.98 19.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.423 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 70.1 mt-10 -49.7 -29.06 6.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.358 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.16 74.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.605 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -27.93 43.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.227 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.473 HG21 ' CE2' ' A' ' 49' ' ' PHE . 24.6 mm -65.52 -39.51 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.955 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -57.7 -49.77 75.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.163 0.506 . . . . 0.0 109.832 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.87 -43.2 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.981 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.561 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 7.8 t90 -55.92 -50.28 71.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.328 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 16.7 m-85 -69.52 -42.74 74.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.283 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -64.35 -31.16 72.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.368 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.35 -42.0 38.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.772 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.856 0.36 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.11 -23.19 41.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.633 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtp-105 -57.77 -40.67 80.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.914 0.388 . . . . 0.0 110.953 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -38.99 91.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.029 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.61 -35.23 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -38.6 91.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.1 t -64.34 -53.31 50.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.753 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.2 t -68.17 -38.42 82.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.394 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.19 -48.63 72.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.389 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mp -84.93 -20.61 30.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.309 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.91 28.64 66.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.98 163.79 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.58 149.26 26.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.468 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 1.0 OUTLIER -52.29 -30.84 30.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.074 0.464 . . . . 0.0 110.412 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.97 70.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.779 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -78.42 -27.62 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.573 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 45' ' ' ILE . 30.5 mm -65.39 -39.53 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.909 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -58.06 -51.04 71.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 109.676 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -45.65 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.357 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 6.5 t90 -55.37 -50.32 70.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.262 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.576 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 18.1 m-85 -69.72 -42.79 73.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.914 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -62.04 -31.25 71.63 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.709 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.39 -38.2 42.25 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 0.0 110.748 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.824 0.345 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -25.59 42.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.321 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -60.77 -42.55 97.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.078 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -66.7 -41.03 88.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.132 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -75.42 -40.6 57.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.472 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.434 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 8.8 mt -64.01 -40.58 96.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.808 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.2 p -63.9 -51.69 63.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.7 m -68.44 -42.52 78.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.745 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.85 -52.39 20.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.848 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.82 -14.49 47.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.512 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.53 30.47 71.03 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.992 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 mt -101.74 152.62 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.004 0.431 . . . . 0.0 111.206 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -87.16 151.23 23.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.535 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.21 -33.04 39.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.042 0.449 . . . . 0.0 110.371 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.34 89.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.82 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -30.12 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.733 . . . . 0.0 109.4 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.484 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 0.9 OUTLIER -65.99 -38.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.96 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -54.17 -47.66 71.77 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.292 0.568 . . . . 0.0 109.654 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -40.34 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.586 178.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.535 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 10.2 t90 -55.38 -50.27 70.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.534 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.535 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 23.8 m-85 -69.54 -44.19 71.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.167 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -64.09 -30.95 71.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.449 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -80.47 -40.08 26.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.809 0.338 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -80.31 -31.21 38.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.333 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -58.98 -39.12 80.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.122 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -70.75 -41.09 72.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -75.42 -37.89 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.328 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.413 HD11 ' CH2' ' A' ' 48' ' ' TRP . 1.2 mt -64.14 -40.4 96.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 0.0 110.63 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 t -60.91 -53.37 58.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.561 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -68.75 -43.21 76.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.561 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.69 -50.68 41.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.741 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -13.98 49.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.262 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.32 31.7 71.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.771 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mt -101.79 155.58 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.12 0.486 . . . . 0.0 111.509 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.26 145.11 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.189 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -49.8 -32.5 14.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.499 . . . . 0.0 110.139 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.5 89.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.586 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -29.58 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.512 0.672 . . . . 0.0 109.555 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 1.1 mm -65.89 -39.21 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.038 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -49.72 72.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.211 0.529 . . . . 0.0 109.73 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -68.8 -40.27 81.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.836 0.827 . . . . 0.0 109.569 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.534 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 9.6 t90 -55.24 -49.99 70.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.3 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.534 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 18.4 m-85 -69.44 -42.63 74.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.138 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -64.35 -31.17 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.432 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -73.84 -31.62 63.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 0.0 111.518 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.58 -23.67 59.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.558 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.403 ' CD ' HG22 ' A' ' 45' ' ' ILE . 6.0 mtm180 -60.68 -42.87 97.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.92 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -67.71 -37.91 82.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.34 -43.99 47.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.426 HD12 ' CH2' ' A' ' 48' ' ' TRP . 2.5 mt -64.3 -39.89 94.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.637 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 t -61.17 -49.52 76.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.599 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 p -68.17 -38.49 82.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.2 -45.0 67.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.413 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 84.8 mt -84.89 -20.86 30.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.262 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.19 25.69 75.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.709 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 ' HG ' ' CB ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -107.06 163.68 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.077 0.465 . . . . 0.0 111.045 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -82.05 149.42 28.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.358 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 17.6 mt-10 -51.53 -28.97 15.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.115 0.483 . . . . 0.0 110.456 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.9 73.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -28.97 49.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.961 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.508 HG23 HD12 ' A' ' 45' ' ' ILE . 20.1 mm -65.51 -42.38 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.43 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -57.51 -45.87 84.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mm -68.67 -41.08 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.725 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.536 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 11.8 t90 -60.66 -50.5 73.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.85 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 23.0 m-85 -69.27 -42.58 75.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.264 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -66.15 -31.1 71.74 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.534 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -79.12 -42.51 26.09 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.699 0.285 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -80.35 -29.36 37.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -61.22 -41.57 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.06 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -46.09 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -75.36 -37.45 60.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.371 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD13 ' CH2' ' A' ' 48' ' ' TRP . 20.3 mt -64.24 -37.58 87.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.966 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.1 p -64.03 -53.48 49.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.941 0.4 . . . . 0.0 110.564 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 t -68.22 -38.42 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.323 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -65.15 -48.38 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.271 -179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.83 -20.16 31.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.232 -179.831 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.74 26.65 64.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.405 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.37 159.9 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.003 0.43 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.04 156.35 19.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.497 179.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.8 mp0 -51.34 -29.49 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 110.952 -179.509 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.57 -34.56 71.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.705 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -28.12 38.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.143 177.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.472 HG23 ' CE1' ' A' ' 49' ' ' PHE . 27.3 mm -65.4 -39.47 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -57.84 -49.92 75.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.19 0.519 . . . . 0.0 109.857 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.78 -42.11 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.925 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.3 t90 -57.04 -50.18 73.53 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.473 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 18.3 m-85 -69.53 -42.63 74.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.335 179.449 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -66.21 -31.13 71.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.534 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -70.09 -42.49 72.67 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.734 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.746 0.308 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -80.36 -23.76 40.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.675 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -59.64 -41.86 91.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.176 -179.516 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -42.0 84.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.133 -179.773 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -75.53 -38.49 59.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.551 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD11 ' CH2' ' A' ' 48' ' ' TRP . 6.4 mt -64.12 -39.93 95.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.739 0.304 . . . . 0.0 111.099 -179.658 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 91.2 p -61.49 -51.14 69.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.662 179.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -38.4 81.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.679 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -49.22 69.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 111.371 -179.296 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mp -84.99 -20.11 31.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.222 -179.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.04 29.62 68.72 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.228 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.86 162.21 14.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.914 0.388 . . . . 0.0 110.757 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.44 151.61 23.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.54 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -51.89 -29.19 18.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 110.467 179.694 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.79 71.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.606 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -79.82 -28.13 40.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.156 177.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.468 HG23 ' CE2' ' A' ' 49' ' ' PHE . 26.1 mm -65.61 -39.54 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -49.76 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.233 0.54 . . . . 0.0 109.897 179.342 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -68.71 -41.47 82.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.878 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.559 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 8.1 t90 -58.55 -50.8 72.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.436 -179.48 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 18.4 m-85 -69.92 -43.07 72.41 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.246 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.96 -30.95 71.6 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.616 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -75.97 -31.31 58.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.818 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 N--CA 1.461 0.099 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -23.73 40.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.455 -179.762 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -58.94 -39.66 82.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -46.92 76.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.252 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -75.32 -36.99 60.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.39 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.429 HD12 ' CH2' ' A' ' 48' ' ' TRP . 14.7 mt -64.13 -37.74 88.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.006 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.4 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -64.97 -53.74 41.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.7 179.815 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 p -68.66 -38.32 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.531 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -65.45 -45.5 83.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.773 -179.034 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.88 -20.46 30.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.354 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.47 17.31 79.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.854 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -101.85 161.48 13.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.635 179.71 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.67 153.22 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.636 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 3.5 mp0 -49.8 -29.18 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.107 0.48 . . . . 0.0 110.375 179.651 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.49 72.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.569 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -79.92 -27.87 39.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.163 177.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.507 HD12 HG21 ' A' ' 45' ' ' ILE . 24.5 mm -65.61 -39.36 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.763 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -50.8 71.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.32 0.581 . . . . 0.0 109.85 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -42.9 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.022 178.817 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.558 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.7 t90 -55.32 -50.16 70.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.316 -179.534 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.558 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 17.9 m-85 -69.39 -42.48 75.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.06 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -31.11 71.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.563 179.763 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.91 -36.71 56.44 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.744 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.6 tttp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 179.947 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.88 0.371 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -80.53 -23.37 40.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.288 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -58.06 -42.31 85.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -44.95 92.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.175 -179.685 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -75.62 -40.63 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.854 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.45 HD11 ' CH2' ' A' ' 48' ' ' TRP . 7.4 mt -64.02 -40.76 97.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.627 0.251 . . . . 0.0 111.457 -179.177 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -46.5 87.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.897 0.379 . . . . 0.0 110.735 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.5 t -68.37 -45.9 71.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.755 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.07 -44.96 90.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.782 0.325 . . . . 0.0 111.457 -179.238 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 mp -84.95 -18.48 34.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.339 -179.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.73 30.2 70.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.24 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.29 158.51 20.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.84 155.9 20.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.531 179.635 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.418 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.4 mt-10 -50.49 -29.17 9.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.118 0.485 . . . . 0.0 110.51 179.676 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.81 73.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.676 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -79.56 -28.05 41.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.204 177.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.483 HD11 HG21 ' A' ' 45' ' ' ILE . 23.4 mm -65.71 -39.41 84.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.679 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -58.23 -50.08 74.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.189 0.519 . . . . 0.0 109.996 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -68.87 -43.77 82.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.054 178.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.592 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.2 t90 -58.12 -50.37 73.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.422 -179.603 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.592 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 18.2 m-85 -69.5 -42.73 74.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.265 179.402 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -31.19 72.27 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.294 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -72.91 -33.85 66.26 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HE2' ' CH2' ' A' ' 48' ' ' TRP . 11.9 mmmt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.971 0.415 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -79.8 -23.58 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.523 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -60.26 -41.93 94.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.076 -179.54 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -63.5 -44.6 93.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.485 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -75.41 -40.4 57.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.559 -179.518 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD12 ' CH2' ' A' ' 48' ' ' TRP . 11.0 mt -64.16 -40.67 96.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.087 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.405 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -66.77 -49.91 64.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.71 179.81 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.28 -41.43 81.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.302 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.5 -46.59 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.452 -179.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 mt -84.82 -18.86 33.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.307 -179.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.44 30.83 63.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.235 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -114.47 158.77 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.931 0.396 . . . . 0.0 110.891 179.906 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.08 155.85 20.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.654 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 19.3 mp0 -52.36 -29.31 23.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.46 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.05 73.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.615 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -79.15 -27.82 42.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.224 177.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.467 HG22 ' CE2' ' A' ' 49' ' ' PHE . 20.8 mm -65.49 -39.36 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -57.51 -50.77 71.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.197 0.522 . . . . 0.0 109.852 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.88 -43.06 82.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.99 178.852 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 6.8 t90 -55.31 -50.26 70.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.118 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 16.0 m-85 -69.62 -42.61 74.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.772 179.093 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -31.2 70.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.461 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.27 -37.61 66.24 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.833 0.349 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -86.1 119.51 26.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -157.27 -59.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -142.94 171.16 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -132.48 -174.15 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -73.95 98.76 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.45 80.02 0.16 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.152 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m120 61.75 80.04 0.23 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.354 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -160.69 -58.06 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.439 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.451 ' CZ ' ' CD1' ' A' ' 26' ' ' LEU . 3.1 p90 -39.55 -47.43 1.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.776 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.451 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.58 -18.74 6.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.183 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.418 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 21.4 m -55.31 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.14 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.31 -34.53 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.56 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -48.84 69.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.209 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -26.01 38.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.435 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -63.68 -43.49 96.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.238 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.64 -37.34 70.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.63 -38.97 58.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.998 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD13 ' CH2' ' A' ' 48' ' ' TRP . 13.4 mt -64.13 -37.08 86.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.747 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.7 p -61.2 -53.51 55.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.9 p -68.36 -38.51 81.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.209 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.26 -48.34 68.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.585 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mp -84.88 -20.49 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.3 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.8 27.78 66.29 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.429 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.37 163.42 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.695 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.54 152.05 22.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.755 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 61.0 mt-10 -52.51 -29.11 23.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.98 71.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.64 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -79.94 -27.95 39.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.223 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.479 HG22 ' CE1' ' A' ' 49' ' ' PHE . 20.4 mm -65.57 -39.56 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.79 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -50.44 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.182 0.515 . . . . 0.0 109.844 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -43.02 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.016 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 6.7 t90 -58.14 -50.46 73.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.403 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 18.0 m-85 -69.71 -42.76 73.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.369 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.77 -31.07 71.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.47 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -74.58 -33.25 62.63 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -31.75 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.49 -28.77 33.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.2 -68.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -46.04 87.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.447 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 23.5 mt 64.68 100.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER 45.71 -170.54 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.553 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.15 -42.27 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.746 0.308 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttp 60.19 -170.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.79 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.968 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.3 174.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.767 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -159.11 -174.24 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.459 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 1.9 m120 -73.92 98.9 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.88 87.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.541 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.424 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 5.3 m120 54.12 77.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.393 0.616 . . . . 0.0 110.699 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 41.7 mmm-85 -156.15 -65.13 0.11 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.3 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.457 ' CZ ' ' CD1' ' A' ' 26' ' ' LEU . 2.5 p90 -33.73 -47.69 0.25 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.266 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.457 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.94 -18.7 6.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.492 -179.521 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.417 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 16.1 m -54.71 -79.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 111.256 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -49.72 -34.2 18.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.811 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -48.85 63.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.592 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -30.46 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.447 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -62.74 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.244 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.27 -43.24 91.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -40.68 57.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.374 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.437 HD13 ' CH2' ' A' ' 48' ' ' TRP . 14.6 mt -64.14 -37.43 87.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.97 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.9 t -60.58 -49.6 76.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -38.41 81.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -49.0 67.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.424 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mp -84.99 -20.58 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.327 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.56 30.34 66.68 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.85 163.64 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.421 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -83.48 148.89 26.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.709 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 3.3 mm-40 -52.61 -29.19 24.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.126 0.489 . . . . 0.0 110.544 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.2 70.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.723 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -80.85 -27.75 36.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.203 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.466 HG23 ' CD1' ' A' ' 49' ' ' PHE . 21.5 mm -65.6 -39.34 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.942 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -57.54 -49.59 75.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.287 0.565 . . . . 0.0 109.983 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -42.48 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.901 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.1 t90 -56.6 -50.18 72.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.524 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.554 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 17.5 m-85 -69.54 -42.77 74.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.298 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -63.05 -31.25 72.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.235 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -80.53 -31.2 37.1 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 120.883 0.373 . . . . 0.0 110.683 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -39.34 82.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -114.49 99.1 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -168.69 31.99 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -128.2 31.59 5.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.8 mt -135.67 78.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.8 tttm 59.11 169.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.981 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -129.92 57.2 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.955 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.795 0.331 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.95 77.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -82.46 -68.59 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 58.62 90.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -112.82 -174.52 2.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.036 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 2.2 m-20 -89.07 99.88 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.263 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 82.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.206 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 m120 60.5 76.9 0.35 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.403 0.621 . . . . 0.0 110.428 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 1.6 mtt85 -160.51 -54.82 0.05 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.218 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CZ ' ' CD1' ' A' ' 26' ' ' LEU . 4.0 p90 -42.05 -46.64 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.751 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.27 -20.55 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.404 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.437 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 21.1 m -48.77 -80.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 111.265 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -55.5 -33.7 63.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.797 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -48.84 72.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.418 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -80.27 -25.48 39.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.512 -179.717 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HG2' HG21 ' A' ' 45' ' ' ILE . 42.7 mtp180 -61.43 -42.27 98.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 0.0 111.232 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -67.44 -44.7 78.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -75.5 -36.84 60.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.744 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 HD13 ' CH2' ' A' ' 48' ' ' TRP . 13.2 mt -64.13 -40.55 96.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.142 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 86.5 p -58.13 -49.49 76.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.681 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -68.38 -39.73 81.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.656 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -48.53 69.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.502 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 mp -84.87 -20.4 30.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.294 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.87 27.41 70.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.14 163.58 13.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -86.2 156.25 20.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.628 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.0 mt-10 -55.27 -30.15 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.134 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.46 -34.43 70.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.085 0.469 . . . . 0.0 109.782 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -80.31 -28.09 38.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.129 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.467 HG22 ' CE1' ' A' ' 49' ' ' PHE . 17.1 mm -65.6 -39.46 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.988 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -49.17 76.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.208 0.528 . . . . 0.0 109.78 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.4 mp -68.73 -40.24 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.82 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.559 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 9.4 t90 -58.09 -50.27 74.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.797 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 20.3 m-85 -69.58 -42.84 73.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.468 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.37 -30.91 69.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ILE . 23.1 t-20 -75.9 -35.44 59.82 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.758 0.313 . . . . 0.0 111.221 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 2.0 tttm -57.82 -31.71 66.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.976 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -99.24 15.56 25.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.24 -57.27 13.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 111.224 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -133.05 -47.77 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.6 mt 61.03 87.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.029 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 168.27 26.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -101.51 30.86 4.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.843 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.84 0.352 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -129.11 110.71 12.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -65.29 137.4 57.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -101.9 133.04 47.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -77.67 -176.16 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -81.69 98.77 8.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.81 84.53 0.92 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.258 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 11.4 m120 62.14 78.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.45 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 23' ' ' ASN . 88.2 mtt-85 -162.01 -60.22 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.36 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -40.76 -46.83 2.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.285 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.89 -12.08 7.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 31' ' ' ARG . 9.5 m -48.16 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.25 -39.83 84.07 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -65.53 -48.84 71.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 111.574 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -80.08 -22.92 41.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.683 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 27' ' ' THR . 6.6 mtp180 -57.53 -39.74 77.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 111.083 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -46.15 87.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.999 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -75.62 -42.11 52.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.647 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.83 -40.57 96.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 0.0 110.986 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.4 t -64.7 -50.59 66.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.572 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.0 m -68.34 -41.06 81.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.706 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -64.78 -46.57 81.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.466 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.2 mp -84.98 -16.39 41.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.373 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.33 29.67 69.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.135 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.34 157.86 21.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.77 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.04 155.86 19.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.517 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.1 mt-10 -51.34 -29.22 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.116 0.484 . . . . 0.0 110.514 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.81 73.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.631 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -79.2 -27.86 42.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.256 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.478 HG23 ' CE1' ' A' ' 49' ' ' PHE . 23.5 mm -65.61 -39.42 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.813 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -57.97 -49.68 75.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.244 0.545 . . . . 0.0 109.823 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.75 -41.66 82.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.862 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.567 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.6 t90 -58.47 -50.46 73.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.527 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.567 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 18.4 m-85 -69.56 -42.74 74.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.555 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -68.11 -30.97 70.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.698 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -74.4 -28.98 61.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.041 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 4.4 mttt -71.79 -29.38 64.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -85.38 7.99 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.472 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.98 -28.76 29.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.067 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.17 -36.23 13.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.0 mt 51.79 97.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.235 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -60.37 132.24 53.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.45 -51.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.9 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.822 0.344 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -95.67 128.54 42.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -78.42 -51.66 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 61.69 76.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -87.36 -176.09 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -101.07 99.52 9.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.787 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -55.12 -47.56 74.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.053 0.454 . . . . 0.0 110.169 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -152.93 82.17 1.21 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.174 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -157.11 -66.45 0.1 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.713 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.46 ' CZ ' ' CD1' ' A' ' 26' ' ' LEU . 2.2 p90 -35.26 -48.09 0.44 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.48 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.17 -19.04 6.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.439 -179.325 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.415 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 17.2 m -55.85 -68.76 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.323 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.8 -39.06 73.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.76 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.2 79.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -79.84 -23.5 41.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.46 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' CG ' HG23 ' A' ' 45' ' ' ILE . 3.5 mtp180 -60.14 -41.29 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 111.269 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.45 -45.83 89.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.965 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.58 -42.91 50.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.565 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.466 HD13 ' CH2' ' A' ' 48' ' ' TRP . 11.9 mt -64.17 -40.67 96.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 111.014 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.1 t -65.53 -49.78 67.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.615 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -68.36 -43.81 76.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.721 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.32 -45.94 85.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.449 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 6.9 mt -84.93 -20.31 30.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.216 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.63 27.19 71.51 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.402 ' HG ' ' CB ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.68 161.5 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.96 156.34 19.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.648 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 64.4 mt-10 -53.94 -29.78 43.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.19 70.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.743 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -80.27 -28.08 38.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.277 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.466 HG21 ' CE1' ' A' ' 49' ' ' PHE . 20.3 mm -65.59 -39.44 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -57.56 -49.34 76.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.243 0.544 . . . . 0.0 109.943 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -41.44 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.814 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.587 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.5 t90 -58.35 -50.69 72.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.371 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.587 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 18.4 m-85 -69.87 -44.21 70.28 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.056 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.11 -31.11 72.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.455 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -73.8 -35.87 64.95 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 1.6 mttm -69.35 -29.67 67.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -91.26 12.86 18.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.323 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.2 26.99 4.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 111.078 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -110.27 33.06 4.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.7 mt -115.5 75.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 179.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -141.0 168.96 18.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.811 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.762 0.315 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.73 161.52 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.12 -176.42 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 16.8 mt-10 62.42 107.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 28.6 p90 45.86 -172.92 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.64 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.469 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . 11.4 m-20 -92.96 101.12 13.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -56.32 136.55 53.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.44 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.6 m120 44.77 38.16 2.68 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.522 0.677 . . . . 0.0 111.279 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.469 ' HB2' ' CB ' ' A' ' 21' ' ' ASN . 3.5 mmt85 -138.58 -49.75 0.54 Allowed 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.058 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.446 ' CE2' HD22 ' A' ' 26' ' ' LEU . 2.2 p90 -42.42 -46.19 4.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.78 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 HD22 ' CE2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -119.4 -29.42 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.407 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -43.98 -83.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.938 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -61.56 -34.32 75.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.023 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -61.81 -48.72 79.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.021 0.439 . . . . 0.0 110.96 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -80.22 -23.63 40.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.434 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -64.26 -45.63 87.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -75.61 -38.56 58.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.656 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD12 ' CH2' ' A' ' 48' ' ' TRP . 12.2 mt -64.17 -37.53 87.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 111.017 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.29 -53.63 52.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.506 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -38.42 80.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.495 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.1 -48.53 70.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.379 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 5.4 mt -84.8 -20.48 30.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.244 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.46 22.2 79.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.789 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.418 ' HG ' ' CB ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -104.63 159.93 15.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.749 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.22 154.0 24.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.66 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.8 mm-40 -52.21 -29.51 22.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.073 0.463 . . . . 0.0 110.599 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.5 73.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.517 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -79.52 -27.76 41.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.203 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.486 HD13 HG23 ' A' ' 45' ' ' ILE . 24.5 mm -65.51 -39.6 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -49.58 76.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.204 0.526 . . . . 0.0 109.952 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -42.31 82.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.876 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.571 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.0 t90 -57.77 -50.3 73.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.426 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.571 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 17.8 m-85 -69.64 -42.79 73.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.458 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -65.85 -31.09 71.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.433 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.81 -38.79 80.13 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.724 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -39.35 94.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.739 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? -127.05 100.83 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -166.31 -48.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -98.3 28.43 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.3 mt -141.53 78.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.4 84.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -147.33 51.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.818 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 139.66 39.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -34.07 31.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 59.79 160.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -158.24 -179.03 7.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 1.4 m-80 -83.71 117.72 23.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.649 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.97 104.03 16.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.255 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.439 ' C ' ' HB ' ' A' ' 27' ' ' THR . 5.8 m120 61.4 39.68 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.501 0.667 . . . . 0.0 111.385 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 38.7 mtt180 -134.52 -45.9 0.75 Allowed 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.159 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.442 ' CE2' HD23 ' A' ' 26' ' ' LEU . 2.4 p90 -50.53 -46.55 57.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.862 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.442 HD23 ' CE2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -125.74 -41.03 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.63 -179.048 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.439 ' HB ' ' C ' ' A' ' 23' ' ' ASN . 1.1 m -46.15 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.569 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.418 ' N ' ' CG2' ' A' ' 27' ' ' THR . 1.8 mm-40 -61.71 -36.31 80.57 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -48.9 69.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.463 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 1.2 ttt180 -80.14 -23.32 41.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.309 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.416 ' CD ' HG22 ' A' ' 45' ' ' ILE . 7.0 mtm-85 -57.98 -40.3 80.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.966 0.412 . . . . 0.0 111.021 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -40.06 75.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.18 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.59 -39.06 58.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.423 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' CD2' ' CZ2' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -64.35 -39.58 94.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.119 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.5 p -60.93 -48.85 79.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 t -68.28 -43.65 77.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.531 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.86 83.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.494 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mt -84.86 -20.44 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.306 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.52 29.7 67.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.44 163.34 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.02 155.44 20.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.7 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 28.0 mt-10 -53.78 -29.51 40.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.064 0.459 . . . . 0.0 110.592 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.79 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.245 0.545 . . . . 0.0 109.694 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -78.2 -27.74 47.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.362 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.465 HG23 ' CE1' ' A' ' 49' ' ' PHE . 14.9 mm -65.56 -39.47 85.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.102 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -57.29 -49.48 75.96 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.246 0.546 . . . . 0.0 109.93 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.82 -40.5 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.843 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.555 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 9.2 t90 -57.19 -50.44 72.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.652 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 20.0 m-85 -69.59 -42.68 74.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.44 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -66.63 -31.01 71.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -78.48 -41.31 32.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -64.32 -36.95 85.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 mtp-105 -128.7 102.42 6.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -144.66 -54.75 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.58 -55.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.2 mt 58.71 99.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.42 165.3 19.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -98.78 31.18 3.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.958 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.713 0.292 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -108.95 155.08 21.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -138.38 131.11 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.719 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -72.32 118.77 15.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -107.88 -174.22 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -66.06 98.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.305 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.12 85.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 m120 64.69 90.83 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.659 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.553 ' HG3' ' N ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -171.82 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.138 -179.008 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.553 ' N ' ' HG3' ' A' ' 24' ' ' ARG . 2.2 p90 -42.55 -47.48 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.501 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -122.64 -19.2 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.417 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 18.1 m -55.69 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.745 0.307 . . . . 0.0 111.095 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -61.91 -33.61 74.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.667 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -48.65 77.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.22 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -80.09 -23.82 41.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.284 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.45 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 111.095 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -63.64 -43.59 96.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -42.25 55.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.277 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 HD23 ' CZ2' ' A' ' 48' ' ' TRP . 17.9 mt -64.21 -37.35 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.5 p -67.72 -52.0 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.697 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 p -68.24 -41.56 80.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.52 -46.29 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.439 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.7 mt -84.79 -20.63 30.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.202 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.99 24.95 75.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.708 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.73 163.66 12.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.971 0.415 . . . . 0.0 110.854 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.05 155.69 20.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.403 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.418 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 16.2 mt-10 -52.51 -29.37 24.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.079 0.466 . . . . 0.0 110.58 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.9 73.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.602 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -28.24 44.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.301 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.48 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 21.0 mm -65.55 -39.38 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.025 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -49.21 75.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.249 0.547 . . . . 0.0 109.681 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -39.86 80.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.63 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.521 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 10.6 t90 -56.12 -50.25 71.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.698 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 21.3 m-85 -69.4 -42.71 74.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.507 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -67.38 -30.95 70.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.565 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -42.55 90.47 Favored 'General case' 0 C--N 1.334 -0.065 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.019 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -30.49 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -27.28 60.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.56 64.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.325 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 25.91 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.092 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.0 mt -153.0 86.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.37 77.13 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.91 175.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.917 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -74.47 115.62 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -106.44 -41.41 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -118.83 141.93 48.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.69 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -155.68 -178.76 7.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 111.192 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.468 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 78.5 m-20 -102.04 103.41 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.14 -45.43 71.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.073 0.463 . . . . 0.0 110.197 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -152.08 79.71 1.25 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.145 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 27.9 mtm-85 -159.74 -54.9 0.06 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.559 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.442 ' CZ ' ' CD1' ' A' ' 26' ' ' LEU . 3.4 p90 -42.28 -48.04 4.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.855 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -121.38 -20.15 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 -179.683 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.428 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 34.7 m -50.89 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 0.0 111.264 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -59.02 -34.06 71.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.447 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -48.53 76.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.109 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 1.4 mtm180 -80.09 -23.49 41.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.335 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -58.2 -40.99 83.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 111.086 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -42.06 76.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.055 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -75.65 -39.08 58.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.791 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.437 HD12 ' CH2' ' A' ' 48' ' ' TRP . 5.5 mt -65.39 -40.69 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.128 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.1 p -62.48 -48.57 79.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.641 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -38.44 81.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.706 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.48 -51.1 55.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.583 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 mp -84.79 -20.14 31.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.363 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.97 28.47 68.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.53 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.89 162.49 13.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.31 156.32 20.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.487 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.09 -29.79 32.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.06 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.49 71.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.84 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -28.53 39.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.247 177.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.481 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 10.4 mm -65.62 -39.47 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.017 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -49.31 75.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.165 0.507 . . . . 0.0 109.879 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.76 -41.32 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.846 0.831 . . . . 0.0 109.615 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.9 t90 -55.39 -50.33 70.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.31 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 19.0 m-85 -69.7 -42.79 73.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -31.19 72.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.535 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.6 -41.77 65.24 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.802 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -31.99 65.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -81.47 -1.06 44.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.424 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.65 28.06 4.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.868 0.366 . . . . 0.0 111.211 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -97.31 -44.35 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mt 59.86 82.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 78.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.31 -40.19 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.891 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.746 0.307 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -108.52 170.39 8.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.07 129.73 17.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 3.7 mt-10 -89.05 109.4 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.469 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 14.8 p90 46.44 -173.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.551 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -65.14 96.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.67 85.47 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m120 66.35 91.25 0.09 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.791 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' CG ' ' N ' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -172.9 -66.73 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.044 -179.179 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.438 ' N ' ' CG ' ' A' ' 24' ' ' ARG . 2.3 p90 -33.59 -45.37 0.17 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.72 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.433 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -123.04 -19.56 6.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.077 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.416 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 24.5 m -55.45 -48.1 75.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.08 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.71 -52.99 62.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.781 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -41.7 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.912 0.387 . . . . 0.0 111.154 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.85 -23.23 42.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.373 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.17 -43.43 87.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 111.022 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -64.41 -41.75 96.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.038 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 14.3 mt-30 -75.66 -43.95 44.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.574 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD2' ' CZ2' ' A' ' 48' ' ' TRP . 3.3 mt -64.12 -40.62 96.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 111.238 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.1 t -65.23 -45.12 85.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.771 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -68.4 -46.66 69.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.83 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -64.51 -45.67 86.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.567 -179.068 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.404 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 11.0 mt -84.86 -20.74 30.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.418 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.59 29.2 71.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.322 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -108.76 162.64 13.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 0.0 110.837 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.97 155.79 20.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.725 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.3 mp0 -53.26 -29.53 33.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.82 -36.72 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.181 0.515 . . . . 0.0 109.631 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.49 -27.87 46.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.274 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 19.2 mm -65.63 -39.43 84.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.031 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -56.68 -48.86 76.7 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.181 0.515 . . . . 0.0 109.815 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.72 -40.06 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.695 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 10.0 t90 -57.5 -50.4 73.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.648 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.554 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 20.6 m-85 -69.59 -42.79 73.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.422 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -66.55 -31.14 71.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.419 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -74.36 -40.06 62.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -65.26 -34.78 79.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -65.42 -28.07 68.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.007 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.45 -30.71 63.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.92 -24.53 55.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.011 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.5 mt 68.24 103.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.091 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -155.45 104.99 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.08 117.89 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.88 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.852 0.358 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.87 -177.87 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -120.2 168.4 11.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.663 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.06 172.6 13.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.792 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -165.52 -174.99 3.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.698 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.463 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 19.5 m-80 -100.16 104.04 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.05 80.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.156 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.429 ' C ' ' HG2' ' A' ' 24' ' ' ARG . 12.1 m120 59.45 74.36 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.46 0.648 . . . . 0.0 110.448 -179.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 24.9 mmt180 -156.71 -53.91 0.08 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.117 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.453 ' CZ ' ' CD1' ' A' ' 26' ' ' LEU . 3.5 p90 -47.06 -47.68 22.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.007 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.83 -20.57 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.546 -179.257 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 31' ' ' ARG . 5.0 m -53.77 -87.89 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.668 0.27 . . . . 0.0 110.968 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -54.61 -34.05 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.4 -49.14 62.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -27.5 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.579 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -59.77 -41.47 91.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 -179.546 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -37.89 68.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -34.76 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.345 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.429 HD11 ' CH2' ' A' ' 48' ' ' TRP . 0.4 OUTLIER -63.9 -40.38 96.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.923 -179.733 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -53.49 57.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.753 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 p -68.38 -38.44 81.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.567 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.09 -48.94 64.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.623 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mp -84.85 -19.99 31.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.23 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.22 28.79 67.48 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.431 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.24 163.32 13.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 110.783 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.06 154.19 20.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.459 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 79.3 mm-40 -51.17 -28.98 12.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.138 0.494 . . . . 0.0 110.389 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.57 -35.6 72.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.713 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -28.46 41.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.146 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.472 HG22 HD13 ' A' ' 45' ' ' ILE . 25.9 mm -65.67 -39.4 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -49.97 75.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.191 0.519 . . . . 0.0 109.924 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.99 -42.62 82.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.111 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.574 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.1 t90 -59.11 -50.31 74.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.682 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 18.2 m-85 -69.6 -42.64 74.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.253 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -31.02 72.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.445 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.59 -37.58 79.94 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.889 0.376 . . . . 0.0 110.828 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -58.85 -35.11 72.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.055 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 mmt-85 -104.07 15.57 28.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.336 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.41 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.085 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -34.06 69.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.8 mt 64.77 98.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -121.38 140.35 52.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -76.31 157.53 32.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.892 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.794 0.331 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 103.95 9.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -173.36 -63.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -131.82 160.74 34.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -72.39 -176.39 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.433 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 1.7 m-20 -84.47 130.44 34.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.697 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -96.95 114.28 25.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.703 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 56.97 37.26 28.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.587 0.708 . . . . 0.0 110.523 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -140.16 -44.71 0.42 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.674 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.463 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 5.8 p90 -53.86 -47.65 70.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.049 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.463 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -125.25 -41.22 2.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.406 -178.34 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.42 ' N ' ' CD2' ' A' ' 26' ' ' LEU . 1.2 m -42.99 -49.89 5.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.888 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.57 -53.68 53.11 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -65.92 -41.46 91.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 111.303 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' HB2' ' HG ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -74.89 -23.35 58.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.626 -179.533 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.408 ' HG2' HG23 ' A' ' 45' ' ' ILE . 6.1 mtp180 -58.25 -42.44 86.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.958 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -40.93 87.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.983 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -75.54 -43.23 49.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.565 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD11 ' CH2' ' A' ' 48' ' ' TRP . 2.2 mt -64.22 -39.75 94.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 110.757 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.8 p -64.42 -51.71 61.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -38.91 82.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.412 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -67.53 -48.34 67.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.579 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 mp -84.85 -20.55 30.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.319 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.3 28.31 70.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.511 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.8 163.72 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.787 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.55 150.97 24.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.61 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.4 mt-10 -52.88 -29.29 27.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.098 0.475 . . . . 0.0 110.571 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.91 71.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.64 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -79.93 -27.85 39.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.227 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.472 HG21 ' CE2' ' A' ' 49' ' ' PHE . 18.5 mm -65.58 -39.41 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.009 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -57.03 -49.18 76.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.33 0.586 . . . . 0.0 109.828 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.81 -40.78 81.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.658 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 9.5 t90 -57.02 -50.34 73.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.643 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 19.2 m-85 -69.67 -42.76 73.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.419 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -66.82 -31.04 71.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.579 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.95 -37.85 58.19 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -44.02 97.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.79 101.91 7.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.08 -48.64 2.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -85.93 -64.78 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mt 63.98 102.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.98 130.63 14.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm 60.49 169.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.974 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -140.53 113.12 8.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -165.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.814 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 61.9 176.63 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -167.19 -172.64 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' HB3' ' HB3' ' A' ' 24' ' ' ARG . 6.7 m-20 -60.56 96.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.209 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -60.95 98.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.599 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' HA ' ' CB ' ' A' ' 27' ' ' THR . 2.6 m-80 62.64 87.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.698 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.436 ' N ' ' HB ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -177.04 -70.31 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.938 -179.024 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 5.3 p90 -39.22 -47.44 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.985 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -124.04 -37.23 2.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.141 -178.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 31' ' ' ARG . 1.4 m -46.85 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.511 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.415 ' N ' ' CG2' ' A' ' 27' ' ' THR . 11.4 mt-10 -49.82 -38.93 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -66.98 -48.72 67.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 111.62 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -80.15 -23.53 41.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.866 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 27' ' ' THR . 3.8 tmm_? -58.04 -37.45 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -42.7 73.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -75.42 -38.73 59.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.25 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.42 HD21 ' CZ2' ' A' ' 48' ' ' TRP . 1.9 mt -64.11 -39.61 94.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 110.922 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -65.86 -51.88 55.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -40.26 82.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.596 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -46.73 77.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.424 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mt -84.87 -20.6 30.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.313 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.04 27.9 71.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.41 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.09 163.59 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.956 0.408 . . . . 0.0 110.802 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.53 151.41 23.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.589 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 1.1 tt0 -52.84 -29.14 26.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.108 0.48 . . . . 0.0 110.547 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.77 71.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.636 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -80.03 -27.88 39.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.198 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.469 HG21 ' CE1' ' A' ' 49' ' ' PHE . 23.0 mm -65.55 -39.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -49.14 76.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.253 0.549 . . . . 0.0 109.901 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -41.62 82.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.832 178.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.549 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.9 t90 -56.85 -50.27 72.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.612 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 19.2 m-85 -69.56 -42.77 74.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.345 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.97 -30.97 71.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.496 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -40.68 78.52 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HE3' ' CZ2' ' A' ' 48' ' ' TRP . 8.6 mttm -65.65 -29.67 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.36 -6.89 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.516 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.8 -29.88 70.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.849 0.356 . . . . 0.0 111.312 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -59.72 4.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.5 mt 67.88 107.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -103.92 -178.33 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.77 126.54 54.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.942 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.81 0.338 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.21 98.02 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 59.64 -177.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -122.86 106.45 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -175.45 177.62 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 71.1 m-80 -82.41 102.04 11.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.651 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -45.49 87.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.623 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.458 ' C ' ' HG2' ' A' ' 24' ' ' ARG . 5.8 m120 -152.59 66.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.481 0.658 . . . . 0.0 110.797 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.458 ' HG2' ' C ' ' A' ' 23' ' ' ASN . 1.4 mmm180 -145.59 -49.4 0.23 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.437 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.481 ' CE2' ' CD2' ' A' ' 26' ' ' LEU . 2.6 p90 -49.4 -52.2 30.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.353 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.481 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 1.2 pp -117.55 -29.69 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 111.236 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 31' ' ' ARG . 15.6 m -44.26 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.693 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -49.92 -35.76 25.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.177 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -66.85 -48.84 67.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.807 0.337 . . . . 0.0 111.5 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.38 -24.74 39.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.499 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 27' ' ' THR . 5.1 tmm_? -61.28 -42.43 98.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 111.251 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -46.21 85.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.171 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -75.53 -39.71 57.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.525 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.448 HD12 ' CH2' ' A' ' 48' ' ' TRP . 16.1 mt -64.05 -40.72 96.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.763 0.316 . . . . 0.0 111.123 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.81 -50.67 61.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.698 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -68.52 -39.62 81.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.466 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -67.01 -49.4 65.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.458 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.0 mt -84.77 -15.57 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.357 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.71 32.03 70.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.291 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.04 156.15 24.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.24 156.02 21.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.605 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -50.27 -29.78 10.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.07 0.462 . . . . 0.0 110.448 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 46' ' ' LYS . . . -58.99 -33.1 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.944 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -82.33 -27.65 32.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.225 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.449 HG21 ' CE2' ' A' ' 49' ' ' PHE . 15.2 mm -65.72 -39.73 85.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.289 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 31.5 pttt -59.18 -47.88 83.68 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 109.91 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -43.55 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 0.0 109.682 178.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 6.3 t90 -55.39 -50.37 69.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.274 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 15.7 m-85 -69.83 -42.76 73.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.015 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.46 -31.19 72.28 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.52 -36.31 33.38 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -31.07 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -67.34 -26.02 66.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.041 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.14 -21.2 64.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.477 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.15 73.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 111.038 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.8 mt -130.78 82.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 108.94 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.77 179.2 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.335 -0.841 . . . . 0.0 110.932 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 78.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -131.9 163.01 29.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -122.3 86.77 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -147.92 -179.66 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.429 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 1.9 m-20 -78.75 100.34 7.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -53.03 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.019 0.438 . . . . 0.0 110.183 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 3.5 m120 -146.68 81.82 1.57 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.117 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 90.4 mtt180 -161.37 -58.22 0.05 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.147 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.464 ' CE2' ' CD2' ' A' ' 26' ' ' LEU . 1.9 p90 -41.22 -51.09 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.017 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.464 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -118.42 -31.44 4.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 110.711 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.8 m -48.26 -91.19 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.169 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -62.05 -33.93 75.3 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -49.04 74.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 111.262 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 3.9 ttm180 -80.3 -23.67 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -61.46 -43.08 99.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -71.71 -39.48 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -74.71 -33.21 62.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.431 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 12.7 mt -64.04 -40.8 97.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.1 t -61.65 -53.51 55.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.976 0.417 . . . . 0.0 110.607 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -68.49 -38.26 80.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.509 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.58 -53.43 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.657 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.2 mp -85.24 -11.72 54.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.37 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.41 32.23 71.65 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.562 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 mt -101.76 154.86 18.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 111.504 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -87.36 147.18 25.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.354 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -50.6 -32.65 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.125 0.488 . . . . 0.0 110.062 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.52 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.49 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -77.41 -29.42 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.558 0.694 . . . . 0.0 109.498 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.497 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 1.0 OUTLIER -65.89 -39.09 83.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.134 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -55.72 -48.27 75.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.213 0.53 . . . . 0.0 109.644 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -40.52 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.548 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.532 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 9.7 t90 -55.36 -49.97 70.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.724 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.532 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 19.8 m-85 -69.43 -42.59 74.79 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.295 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.44 -31.03 71.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.559 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -79.1 -35.52 42.15 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.809 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -29.34 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.008 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 ttt-85 -84.26 4.46 30.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.485 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.0 -58.96 2.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.219 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -31.1 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mt 64.76 100.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.34 169.89 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.77 169.46 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.899 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.853 0.359 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -87.53 106.51 18.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -98.45 117.87 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.49 96.83 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.786 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -141.97 -173.61 3.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.533 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 70.0 m-80 -102.32 120.04 39.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.812 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.69 -18.77 61.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.646 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -173.33 43.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.504 0.668 . . . . 0.0 111.009 -179.624 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.533 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 7.5 mmm180 -129.37 -45.2 1.23 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.81 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 2.2 p90 -48.22 -47.68 35.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.549 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.445 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -120.08 -17.21 8.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.053 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.403 ' CB ' ' O ' ' A' ' 23' ' ' ASN . 5.8 m -48.73 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.74 0.305 . . . . 0.0 111.301 -178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -61.69 -35.04 76.86 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -49.21 64.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.671 -179.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 6.1 ttt180 -80.34 -27.87 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.34 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -59.28 -40.46 86.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.21 -44.73 87.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.18 -38.22 60.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 HD12 ' CH2' ' A' ' 48' ' ' TRP . 10.9 mt -64.05 -38.75 92.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.28 -52.77 52.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.648 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.0 m -68.27 -40.66 81.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.446 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -64.61 -47.4 78.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.238 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.4 mt -84.87 -17.09 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.233 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.36 29.57 69.99 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.81 159.52 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.947 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.05 155.98 19.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.423 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 70.1 mt-10 -49.7 -29.06 6.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.358 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.16 74.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.605 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -27.93 43.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.227 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.473 HG21 ' CE2' ' A' ' 49' ' ' PHE . 24.6 mm -65.52 -39.51 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.955 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -57.7 -49.77 75.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.163 0.506 . . . . 0.0 109.832 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.87 -43.2 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.981 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.561 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 7.8 t90 -55.92 -50.28 71.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.328 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 16.7 m-85 -69.52 -42.74 74.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.283 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -64.35 -31.16 72.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.368 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.35 -42.0 38.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.772 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.49 -29.46 64.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -66.92 -20.38 65.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.46 28.86 3.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.342 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.74 -68.38 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mt 60.86 98.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp 62.82 146.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.58 179.84 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.887 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.41 153.04 50.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.804 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -136.64 154.8 50.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.21 111.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -122.75 -175.78 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.693 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.435 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 5.6 m-20 -77.3 114.51 16.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.393 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -82.17 108.26 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.553 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.422 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 2.5 m-80 60.45 40.2 17.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.382 0.61 . . . . 0.0 111.319 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 52.0 mtt-85 -141.1 -47.46 0.4 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.575 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 2.6 p90 -45.97 -45.24 15.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.16 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -129.56 5.5 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.149 -178.231 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 23' ' ' ASN . 22.1 m -80.86 -88.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.636 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.96 -47.24 85.74 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -61.06 -47.23 87.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 111.38 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -80.11 -23.19 41.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.633 -179.506 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtp-105 -57.77 -40.67 80.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.914 0.388 . . . . 0.0 110.953 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -38.99 91.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.029 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.61 -35.23 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -38.6 91.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.1 t -64.34 -53.31 50.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.753 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.2 t -68.17 -38.42 82.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.394 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.19 -48.63 72.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.389 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mp -84.93 -20.61 30.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.309 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.91 28.64 66.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.98 163.79 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.58 149.26 26.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.468 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 1.0 OUTLIER -52.29 -30.84 30.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.074 0.464 . . . . 0.0 110.412 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.97 70.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.779 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -78.42 -27.62 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.573 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 45' ' ' ILE . 30.5 mm -65.39 -39.53 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.909 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -58.06 -51.04 71.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 109.676 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.07 -45.65 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.357 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 6.5 t90 -55.37 -50.32 70.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.262 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.576 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 18.1 m-85 -69.72 -42.79 73.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.914 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -62.04 -31.25 71.63 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.709 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.39 -38.2 42.25 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 0.0 110.748 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -34.97 72.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.815 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -122.89 101.8 7.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.72 27.81 2.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.9 -50.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mt 57.41 85.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.201 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.35 72.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -95.04 179.17 5.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.916 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.14 117.19 29.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.0 ttt-85 -176.28 -48.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -161.45 150.13 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.822 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -122.78 -176.6 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -73.23 97.54 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.219 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.18 89.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.904 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 m120 63.75 88.73 0.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.75 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -168.05 -61.3 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.267 -179.322 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.434 ' CZ ' ' CD1' ' A' ' 26' ' ' LEU . 2.5 p90 -38.4 -47.45 1.25 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.791 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' CD1' ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.55 -18.5 6.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.125 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.413 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 22.1 m -58.21 -61.52 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.59 -46.64 89.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.455 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -44.17 97.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -25.59 42.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.321 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -60.77 -42.55 97.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.078 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -66.7 -41.03 88.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.132 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -75.42 -40.6 57.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.472 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.434 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 8.8 mt -64.01 -40.58 96.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.808 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.2 p -63.9 -51.69 63.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.7 m -68.44 -42.52 78.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.745 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.85 -52.39 20.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.848 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.82 -14.49 47.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.512 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.53 30.47 71.03 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.992 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 mt -101.74 152.62 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.004 0.431 . . . . 0.0 111.206 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -87.16 151.23 23.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.535 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.21 -33.04 39.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.042 0.449 . . . . 0.0 110.371 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.34 89.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.82 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -30.12 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.733 . . . . 0.0 109.4 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.484 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 0.9 OUTLIER -65.99 -38.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.96 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -54.17 -47.66 71.77 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.292 0.568 . . . . 0.0 109.654 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -40.34 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.586 178.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.535 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 10.2 t90 -55.38 -50.27 70.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.534 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.535 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 23.8 m-85 -69.54 -44.19 71.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.167 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -64.09 -30.95 71.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.449 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -80.47 -40.08 26.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -41.15 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -125.64 102.15 7.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -126.03 27.75 6.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.55 -60.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mt 62.88 93.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -131.4 135.38 47.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 141.64 28.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.891 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.883 0.373 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.0 134.78 35.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -77.68 117.01 18.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.39 86.64 2.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -122.78 -175.83 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.82 113.46 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.686 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.16 116.32 21.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.283 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 m120 50.92 40.01 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.459 0.647 . . . . 0.0 111.566 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 mtm-85 -136.9 -47.41 0.6 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.276 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.459 ' CE2' HD23 ' A' ' 26' ' ' LEU . 2.3 p90 -46.81 -46.31 20.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.917 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.459 HD23 ' CE2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -120.56 -26.28 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.824 -178.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.7 m -44.16 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.856 0.36 . . . . 0.0 111.919 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.06 -35.36 69.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.171 -179.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -65.94 -48.92 69.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.809 0.338 . . . . 0.0 111.476 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -80.31 -31.21 38.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.333 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -58.98 -39.12 80.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.122 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -70.75 -41.09 72.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -75.42 -37.89 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.328 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.413 HD11 ' CH2' ' A' ' 48' ' ' TRP . 1.2 mt -64.14 -40.4 96.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 0.0 110.63 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 t -60.91 -53.37 58.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.561 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -68.75 -43.21 76.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.561 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.69 -50.68 41.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.741 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -13.98 49.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.262 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.32 31.7 71.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.771 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.5 mt -101.79 155.58 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.12 0.486 . . . . 0.0 111.509 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.26 145.11 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.189 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -49.8 -32.5 14.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.499 . . . . 0.0 110.139 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.5 89.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.586 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -29.58 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.512 0.672 . . . . 0.0 109.555 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 1.1 mm -65.89 -39.21 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.038 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -49.72 72.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.211 0.529 . . . . 0.0 109.73 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -68.8 -40.27 81.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.836 0.827 . . . . 0.0 109.569 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.534 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 9.6 t90 -55.24 -49.99 70.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.3 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.534 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 18.4 m-85 -69.44 -42.63 74.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.138 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -64.35 -31.17 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.432 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -73.84 -31.62 63.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -31.15 68.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -30.69 70.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.15 28.89 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -83.91 -67.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.3 mt 57.06 101.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -64.95 125.41 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.62 136.86 54.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.866 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.745 0.307 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.31 142.04 51.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -61.0 -30.57 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -145.79 166.8 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.009 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -58.94 -175.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -80.5 126.29 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.578 179.554 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.15 107.35 19.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' C ' ' HB ' ' A' ' 27' ' ' THR . 1.3 m-80 62.65 38.9 11.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.573 0.701 . . . . 0.0 110.772 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 2.3 mmm180 -139.85 -45.17 0.43 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.6 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.468 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 6.2 p90 -53.9 -48.03 70.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.091 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -124.58 -41.37 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.298 -178.514 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ARG . 1.3 m -41.95 -62.0 1.01 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.837 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -53.62 -49.37 68.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -65.7 -48.19 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.324 . . . . 0.0 111.518 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.58 -23.67 59.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.558 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' THR . 6.0 mtm180 -60.68 -42.87 97.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.92 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -67.71 -37.91 82.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.34 -43.99 47.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 HD12 ' CH2' ' A' ' 48' ' ' TRP . 2.5 mt -64.3 -39.89 94.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.637 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.2 t -61.17 -49.52 76.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.599 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 p -68.17 -38.49 82.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.2 -45.0 67.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.413 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' CB ' ' HG ' ' A' ' 40' ' ' LEU . 84.8 mt -84.89 -20.86 30.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.262 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.19 25.69 75.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.709 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 ' HG ' ' CB ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -107.06 163.68 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.077 0.465 . . . . 0.0 111.045 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -82.05 149.42 28.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.358 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 17.6 mt-10 -51.53 -28.97 15.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.115 0.483 . . . . 0.0 110.456 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.9 73.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -28.97 49.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.961 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.508 HG23 HD12 ' A' ' 45' ' ' ILE . 20.1 mm -65.51 -42.38 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.43 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -57.51 -45.87 84.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mm -68.67 -41.08 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.725 178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.536 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 11.8 t90 -60.66 -50.5 73.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.85 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 23.0 m-85 -69.27 -42.58 75.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.264 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -66.15 -31.1 71.74 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.534 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -79.12 -42.51 26.09 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -29.4 70.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -91.96 17.4 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.425 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.61 26.9 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 111.371 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -178.36 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mp 55.72 101.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.249 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -107.13 111.41 23.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.3 -58.96 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.907 -179.983 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.813 0.34 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.26 102.89 10.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.47 -74.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -142.9 110.95 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -70.55 178.23 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.487 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 2.3 m-20 -86.55 132.92 33.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.89 95.79 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.515 ' C ' ' HB ' ' A' ' 27' ' ' THR . 12.2 m120 61.15 38.62 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.574 0.702 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 17.5 mmt85 -129.26 -43.06 1.32 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.211 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.464 ' CZ ' ' CD1' ' A' ' 26' ' ' LEU . 1.8 p90 -49.01 -48.93 43.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.209 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -125.65 -26.44 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.515 ' HB ' ' C ' ' A' ' 23' ' ' ASN . 1.2 m -61.71 -78.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' N ' ' CG2' ' A' ' 27' ' ' THR . 5.8 mt-10 -61.81 -33.55 74.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.785 -179.664 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -48.91 69.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.398 -179.153 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 20.6 mtt-85 -80.35 -29.36 37.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.158 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -61.22 -41.57 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.06 -179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -46.09 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -75.36 -37.45 60.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.371 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD13 ' CH2' ' A' ' 48' ' ' TRP . 20.3 mt -64.24 -37.58 87.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.966 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.1 p -64.03 -53.48 49.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.941 0.4 . . . . 0.0 110.564 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 t -68.22 -38.42 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.323 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -65.15 -48.38 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.271 -179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.83 -20.16 31.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.232 -179.831 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.74 26.65 64.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.405 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.37 159.9 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.003 0.43 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.04 156.35 19.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.497 179.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.8 mp0 -51.34 -29.49 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 110.952 -179.509 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.57 -34.56 71.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.705 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -28.12 38.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.143 177.841 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.472 HG23 ' CE1' ' A' ' 49' ' ' PHE . 27.3 mm -65.4 -39.47 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -57.84 -49.92 75.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.19 0.519 . . . . 0.0 109.857 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.78 -42.11 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.925 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.3 t90 -57.04 -50.18 73.53 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.473 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 18.3 m-85 -69.53 -42.63 74.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.335 179.449 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -66.21 -31.13 71.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.534 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -70.09 -42.49 72.67 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -43.08 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.734 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -130.14 100.12 5.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -91.39 66.22 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.144 0.497 . . . . 0.0 111.176 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.79 41.52 21.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.964 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.3 mt 64.56 99.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm 60.93 179.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -111.89 -58.62 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.891 179.977 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.758 0.313 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -110.65 172.16 7.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -148.06 -62.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -127.06 146.59 50.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CE1' ' OH ' ' A' ' 25' ' ' TYR . 7.7 p90 -141.34 -176.43 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.758 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.443 ' O ' ' CZ ' ' A' ' 25' ' ' TYR . 6.1 m-80 -82.95 92.11 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.66 107.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.055 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.4 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 5.1 m120 55.39 84.95 0.07 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.419 0.628 . . . . 0.0 109.608 -178.504 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.1 -72.38 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.584 -178.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -43.2 -91.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.56 178.738 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.18 -31.51 53.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.744 178.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 31' ' ' ARG . 44.6 m -52.95 -87.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.66 -179.179 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.74 -35.56 22.58 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.141 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -68.57 -48.88 63.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.746 0.308 . . . . 0.0 111.583 -179.269 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -80.36 -23.76 40.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.675 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -59.64 -41.86 91.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.176 -179.516 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -42.0 84.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.133 -179.773 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -75.53 -38.49 59.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.551 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD11 ' CH2' ' A' ' 48' ' ' TRP . 6.4 mt -64.12 -39.93 95.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.739 0.304 . . . . 0.0 111.099 -179.658 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 91.2 p -61.49 -51.14 69.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.662 179.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -38.4 81.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.679 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -49.22 69.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 111.371 -179.296 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mp -84.99 -20.11 31.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.222 -179.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.04 29.62 68.72 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.228 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.86 162.21 14.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.914 0.388 . . . . 0.0 110.757 179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.44 151.61 23.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.54 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -51.89 -29.19 18.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 110.467 179.694 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.79 71.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.606 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -79.82 -28.13 40.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.156 177.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.468 HG23 ' CE2' ' A' ' 49' ' ' PHE . 26.1 mm -65.61 -39.54 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -49.76 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.233 0.54 . . . . 0.0 109.897 179.342 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -68.71 -41.47 82.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.878 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.559 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 8.1 t90 -58.55 -50.8 72.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.436 -179.48 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 18.4 m-85 -69.92 -43.07 72.41 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.246 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.96 -30.95 71.6 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.616 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -75.97 -31.31 58.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.818 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -42.68 72.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.64 15.06 20.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.277 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.89 -31.17 27.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -108.75 -32.14 7.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.972 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.6 mt 64.04 97.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.81 112.05 13.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.798 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -151.24 135.93 17.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.794 0.331 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -85.05 99.33 10.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 155.16 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 6.9 tt0 -152.32 71.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.997 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 9.4 p90 45.94 -172.12 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.617 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.85 100.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.213 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.76 89.91 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.25 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 m120 61.96 73.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.421 0.629 . . . . 0.0 110.353 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -159.68 -63.23 0.07 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.589 -179.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -56.27 -17.65 8.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.247 -179.917 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -136.69 -38.38 0.65 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.983 0.421 . . . . 0.0 111.3 -177.916 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.414 ' N ' ' HG ' ' A' ' 26' ' ' LEU . 2.5 m -47.93 -84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.511 -179.235 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -62.06 -35.17 77.81 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -67.49 -49.02 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -23.73 40.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.455 -179.762 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -58.94 -39.66 82.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -46.92 76.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.252 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -75.32 -36.99 60.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.39 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.429 HD12 ' CH2' ' A' ' 48' ' ' TRP . 14.7 mt -64.13 -37.74 88.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.006 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.4 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -64.97 -53.74 41.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.7 179.815 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 p -68.66 -38.32 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.531 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -65.45 -45.5 83.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.773 -179.034 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.88 -20.46 30.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.354 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.47 17.31 79.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.854 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -101.85 161.48 13.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.635 179.71 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.67 153.22 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.636 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 3.5 mp0 -49.8 -29.18 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.107 0.48 . . . . 0.0 110.375 179.651 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.49 72.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.569 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -79.92 -27.87 39.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.163 177.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.507 HD12 HG21 ' A' ' 45' ' ' ILE . 24.5 mm -65.61 -39.36 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.763 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -50.8 71.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.32 0.581 . . . . 0.0 109.85 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -42.9 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.022 178.817 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.558 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.7 t90 -55.32 -50.16 70.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.316 -179.534 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.558 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 17.9 m-85 -69.39 -42.48 75.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.06 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -31.11 71.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.563 179.763 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.91 -36.71 56.44 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.744 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -72.33 -33.77 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -69.79 -28.76 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.38 -19.38 63.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.39 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.04 62.9 7.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.944 0.402 . . . . 0.0 111.013 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.2 mt -139.24 87.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 94.0 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -134.29 -55.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -166.16 140.98 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.23 -79.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.993 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -70.0 131.94 45.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.623 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -114.53 175.02 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.198 0.523 . . . . 0.0 111.359 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.09 32.29 4.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.935 179.117 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -101.49 -27.78 12.93 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.804 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 18.9 m120 -155.45 94.95 1.64 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.373 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 176.39 -71.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.295 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.495 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -36.38 -42.94 0.35 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.356 178.399 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.471 HD13 ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -120.43 -18.13 7.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.422 -179.246 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.44 ' N ' HD12 ' A' ' 26' ' ' LEU . 5.5 m -53.64 -80.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.476 -179.295 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.4 -35.44 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.025 -179.243 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -63.98 -48.97 74.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.371 . . . . 0.0 110.936 -179.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -80.53 -23.37 40.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.288 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -58.06 -42.31 85.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -44.95 92.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.175 -179.685 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -75.62 -40.63 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.854 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.45 HD11 ' CH2' ' A' ' 48' ' ' TRP . 7.4 mt -64.02 -40.76 97.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.627 0.251 . . . . 0.0 111.457 -179.177 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -46.5 87.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.897 0.379 . . . . 0.0 110.735 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.5 t -68.37 -45.9 71.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.755 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.07 -44.96 90.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.782 0.325 . . . . 0.0 111.457 -179.238 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 mp -84.95 -18.48 34.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.339 -179.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.73 30.2 70.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.24 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.29 158.51 20.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.84 155.9 20.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.531 179.635 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.418 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.4 mt-10 -50.49 -29.17 9.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.118 0.485 . . . . 0.0 110.51 179.676 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.81 73.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.676 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -79.56 -28.05 41.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.204 177.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.483 HG21 HD11 ' A' ' 45' ' ' ILE . 23.4 mm -65.71 -39.41 84.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.679 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -58.23 -50.08 74.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.189 0.519 . . . . 0.0 109.996 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -68.87 -43.77 82.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.054 178.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.592 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.2 t90 -58.12 -50.37 73.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.422 -179.603 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.592 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 18.2 m-85 -69.5 -42.73 74.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.265 179.402 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -31.19 72.27 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.294 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -72.91 -33.85 66.26 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' HE2' ' CH2' ' A' ' 48' ' ' TRP . 11.9 mmmt -70.07 -44.48 69.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.41 100.75 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.781 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.55 -65.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -138.93 82.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.5 mt -133.95 83.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.2 tttm 60.67 157.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -78.3 112.74 15.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.953 -179.946 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.903 0.382 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -135.72 142.93 45.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.802 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mtm-85 -144.56 153.59 41.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.86 173.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.443 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 5.0 p90 -170.23 170.02 7.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.34 33.76 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.511 0.672 . . . . 0.0 110.503 179.644 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 5.2 pt-20 -128.88 4.74 5.41 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.458 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 3.2 m120 -148.82 34.04 0.76 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.458 0.647 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -146.21 -62.41 0.31 Allowed 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.404 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -51.04 -19.52 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.861 179.539 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -135.33 -28.79 1.12 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.676 -178.049 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.448 ' OG1' ' HA ' ' A' ' 23' ' ' ASN . 1.4 m -47.96 -79.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.728 0.299 . . . . 0.0 111.791 -178.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.93 -40.43 80.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -63.91 -48.49 76.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.971 0.415 . . . . 0.0 111.187 -179.33 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -79.8 -23.58 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.523 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -60.26 -41.93 94.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.076 -179.54 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -63.5 -44.6 93.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.485 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -75.41 -40.4 57.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.559 -179.518 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD12 ' CH2' ' A' ' 48' ' ' TRP . 11.0 mt -64.16 -40.67 96.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.087 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.405 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -66.77 -49.91 64.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.71 179.81 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.28 -41.43 81.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.302 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.5 -46.59 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.452 -179.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 mt -84.82 -18.86 33.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.307 -179.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.44 30.83 63.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.235 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -114.47 158.77 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.931 0.396 . . . . 0.0 110.891 179.906 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.08 155.85 20.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.654 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 19.3 mp0 -52.36 -29.31 23.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.46 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.05 73.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.615 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -79.15 -27.82 42.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.224 177.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.467 HG22 ' CE2' ' A' ' 49' ' ' PHE . 20.8 mm -65.49 -39.36 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -57.51 -50.77 71.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.197 0.522 . . . . 0.0 109.852 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.88 -43.06 82.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.99 178.852 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 6.8 t90 -55.31 -50.26 70.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.118 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 16.0 m-85 -69.62 -42.61 74.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.772 179.093 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -31.2 70.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.461 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.27 -37.61 66.24 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -69.49 -39.11 77.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -30.2 68.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 -179.924 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.05 34.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -62.27 -73.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.441 HD11 HG22 ' A' ' 56' ' ' ILE . 27.3 mt 58.56 102.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.183 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.6 179.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt 62.1 97.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.894 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.749 0.309 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -26.01 38.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.435 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -63.68 -43.49 96.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.238 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.64 -37.34 70.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.63 -38.97 58.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.998 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.759 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 13.4 mt -64.13 -37.08 86.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.747 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.639 ' HA ' HD12 ' A' ' 40' ' ' LEU . 87.7 p -61.2 -53.51 55.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.9 p -68.36 -38.51 81.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.209 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.26 -48.34 68.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.585 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 40' ' ' LEU . 7.4 mp -84.88 -20.49 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.3 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.8 27.78 66.29 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.429 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -108.37 163.42 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.695 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.54 152.05 22.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.755 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 61.0 mt-10 -52.51 -29.11 23.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.98 71.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.64 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -79.94 -27.95 39.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.223 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.681 HG23 ' CD1' ' A' ' 49' ' ' PHE . 20.4 mm -65.57 -39.56 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.79 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -50.44 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.182 0.515 . . . . 0.0 109.844 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -43.02 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.016 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 6.7 t90 -58.14 -50.46 73.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.403 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.759 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 18.0 m-85 -69.71 -42.76 73.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.369 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.77 -31.07 71.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.47 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -74.58 -33.25 62.63 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.613 0.244 . . . . 0.0 111.592 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -30.46 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.447 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -62.74 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.244 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.27 -43.24 91.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -40.68 57.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.374 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.694 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 14.6 mt -64.14 -37.43 87.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.97 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.549 ' HA ' HD12 ' A' ' 40' ' ' LEU . 44.9 t -60.58 -49.6 76.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -38.41 81.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -49.0 67.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.424 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.68 HD22 HD21 ' A' ' 40' ' ' LEU . 3.4 mp -84.99 -20.58 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.327 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.56 30.34 66.68 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.68 HD21 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.85 163.64 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.421 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -83.48 148.89 26.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.709 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 3.3 mm-40 -52.61 -29.19 24.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.126 0.489 . . . . 0.0 110.544 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.2 70.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.723 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -80.85 -27.75 36.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.203 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' A' ' 49' ' ' PHE . 21.5 mm -65.6 -39.34 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.942 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -57.54 -49.59 75.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.287 0.565 . . . . 0.0 109.983 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -42.48 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.901 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.1 t90 -56.6 -50.18 72.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.524 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.694 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 17.5 m-85 -69.54 -42.77 74.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.298 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -63.05 -31.25 72.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.235 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -80.53 -31.2 37.1 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 120.883 0.373 . . . . 0.0 110.683 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.76 0.315 . . . . 0.0 111.418 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -25.48 39.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.512 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HG2' HG21 ' A' ' 45' ' ' ILE . 42.7 mtp180 -61.43 -42.27 98.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 0.0 111.232 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -67.44 -44.7 78.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -75.5 -36.84 60.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.744 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.698 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 13.2 mt -64.13 -40.55 96.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.142 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.509 ' HA ' HD12 ' A' ' 40' ' ' LEU . 86.5 p -58.13 -49.49 76.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.681 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -68.38 -39.73 81.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.656 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -48.53 69.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.502 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.558 HD22 HD21 ' A' ' 40' ' ' LEU . 2.0 mp -84.87 -20.4 30.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.294 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.87 27.41 70.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD21 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -110.14 163.58 13.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.567 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 4.1 p30 -86.2 156.25 20.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.628 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.0 mt-10 -55.27 -30.15 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.134 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.567 ' HB3' ' OD1' ' A' ' 41' ' ' ASN . . . -58.46 -34.43 70.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.085 0.469 . . . . 0.0 109.782 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -80.31 -28.09 38.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.129 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.512 HG23 ' CD1' ' A' ' 49' ' ' PHE . 17.1 mm -65.6 -39.46 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.988 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -49.17 76.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.208 0.528 . . . . 0.0 109.78 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.4 mp -68.73 -40.24 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.82 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.559 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 9.4 t90 -58.09 -50.27 74.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.797 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.698 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 20.3 m-85 -69.58 -42.84 73.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.468 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.37 -30.91 69.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ILE . 23.1 t-20 -75.9 -35.44 59.82 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.758 0.313 . . . . 0.0 111.221 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 2.0 tttm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.976 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.847 0.356 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HG2' HD12 ' A' ' 34' ' ' LEU . 24.3 ttt180 -80.08 -22.92 41.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.683 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.592 ' HG2' HG21 ' A' ' 45' ' ' ILE . 6.6 mtp180 -57.53 -39.74 77.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 111.083 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -46.15 87.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.999 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -75.62 -42.11 52.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.647 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD12 ' HG2' ' A' ' 30' ' ' ARG . 6.3 mt -63.83 -40.57 96.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 0.0 110.986 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.598 ' HA ' HD12 ' A' ' 40' ' ' LEU . 47.4 t -64.7 -50.59 66.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.572 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.0 m -68.34 -41.06 81.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.706 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' OE1' HD12 ' A' ' 38' ' ' LEU . 1.3 tm-20 -64.78 -46.57 81.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.466 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 40' ' ' LEU . 11.2 mp -84.98 -16.39 41.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.373 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.33 29.67 69.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.135 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -113.34 157.86 21.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.77 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -87.04 155.86 19.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.517 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.434 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.1 mt-10 -51.34 -29.22 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.116 0.484 . . . . 0.0 110.514 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.81 73.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.631 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -79.2 -27.86 42.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.256 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.637 HG23 ' CD1' ' A' ' 49' ' ' PHE . 23.5 mm -65.61 -39.42 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.813 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -57.97 -49.68 75.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.244 0.545 . . . . 0.0 109.823 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.75 -41.66 82.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.862 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.567 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.6 t90 -58.47 -50.46 73.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.527 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.637 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.4 m-85 -69.56 -42.74 74.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.555 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -68.11 -30.97 70.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.698 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -74.4 -28.98 61.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.041 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 4.4 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.0 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -79.84 -23.5 41.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.46 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' CG ' HG21 ' A' ' 45' ' ' ILE . 3.5 mtp180 -60.14 -41.29 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 111.269 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.45 -45.83 89.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.965 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.58 -42.91 50.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.565 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 11.9 mt -64.17 -40.67 96.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 111.014 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.618 ' HA ' HD12 ' A' ' 40' ' ' LEU . 9.1 t -65.53 -49.78 67.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.615 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -68.36 -43.81 76.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.721 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.32 -45.94 85.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.449 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.503 HD13 HD21 ' A' ' 40' ' ' LEU . 6.9 mt -84.93 -20.31 30.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.216 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.63 27.19 71.51 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -109.68 161.5 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.604 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 4.2 p30 -86.96 156.34 19.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.648 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 64.4 mt-10 -53.94 -29.78 43.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.604 ' HB3' ' OD1' ' A' ' 41' ' ' ASN . . . -58.55 -34.19 70.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.743 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -80.27 -28.08 38.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.277 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.587 HG23 ' CD1' ' A' ' 49' ' ' PHE . 20.3 mm -65.59 -39.44 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -57.56 -49.34 76.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.243 0.544 . . . . 0.0 109.943 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -41.44 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.814 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.587 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.5 t90 -58.35 -50.69 72.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.371 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.594 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 18.4 m-85 -69.87 -44.21 70.28 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.056 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.11 -31.11 72.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.455 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -73.8 -35.87 64.95 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 1.6 mttm . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.021 0.439 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -80.22 -23.63 40.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.434 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -61.65 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -64.26 -45.63 87.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -75.61 -38.56 58.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.656 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.697 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 12.2 mt -64.17 -37.53 87.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 111.017 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.418 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -62.29 -53.63 52.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.506 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -38.42 80.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.495 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.1 -48.53 70.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.379 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.424 HD13 HD21 ' A' ' 40' ' ' LEU . 5.4 mt -84.8 -20.48 30.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.244 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.46 22.2 79.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.789 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.431 HD12 ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -104.63 159.93 15.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.749 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -83.22 154.0 24.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.66 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.8 mm-40 -52.21 -29.51 22.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.073 0.463 . . . . 0.0 110.599 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.5 73.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.517 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -79.52 -27.76 41.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.203 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.626 HG23 ' CD1' ' A' ' 49' ' ' PHE . 24.5 mm -65.51 -39.6 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -49.58 76.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.204 0.526 . . . . 0.0 109.952 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -42.31 82.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.876 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.571 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.0 t90 -57.77 -50.3 73.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.426 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.697 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 17.8 m-85 -69.64 -42.79 73.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.458 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -65.85 -31.09 71.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.433 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -68.81 -38.79 80.13 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.724 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.739 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.817 0.342 . . . . 0.0 111.463 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.578 ' O ' HD12 ' A' ' 34' ' ' LEU . 1.2 ttt180 -80.14 -23.32 41.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.309 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -57.98 -40.3 80.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.966 0.412 . . . . 0.0 111.021 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -40.06 75.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.18 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.59 -39.06 58.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.423 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -64.35 -39.58 94.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.119 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.59 ' HA ' HD12 ' A' ' 40' ' ' LEU . 90.5 p -60.93 -48.85 79.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 t -68.28 -43.65 77.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.531 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.86 83.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.494 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' CD1' HD23 ' A' ' 34' ' ' LEU . 3.5 mt -84.86 -20.44 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.306 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.52 29.7 67.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -113.44 163.34 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.02 155.44 20.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.7 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 28.0 mt-10 -53.78 -29.51 40.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.064 0.459 . . . . 0.0 110.592 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.79 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.245 0.545 . . . . 0.0 109.694 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -78.2 -27.74 47.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.362 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.529 HD11 ' CD1' ' A' ' 40' ' ' LEU . 14.9 mm -65.56 -39.47 85.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.102 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -57.29 -49.48 75.96 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.246 0.546 . . . . 0.0 109.93 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.82 -40.5 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.843 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.555 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 9.2 t90 -57.19 -50.44 72.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.652 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.57 ' HZ ' HD13 ' A' ' 34' ' ' LEU . 20.0 m-85 -69.59 -42.68 74.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.44 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -66.63 -31.01 71.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -78.48 -41.31 32.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.785 0.326 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -80.09 -23.82 41.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.284 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.45 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 111.095 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -63.64 -43.59 96.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -42.25 55.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.277 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.424 HD22 ' CZ2' ' A' ' 48' ' ' TRP . 17.9 mt -64.21 -37.35 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.54 ' HA ' HD12 ' A' ' 40' ' ' LEU . 83.5 p -67.72 -52.0 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.697 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 p -68.24 -41.56 80.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.52 -46.29 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.439 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.526 HD13 HD21 ' A' ' 40' ' ' LEU . 10.7 mt -84.79 -20.63 30.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.99 24.95 75.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.708 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -107.73 163.66 12.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.971 0.415 . . . . 0.0 110.854 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -87.05 155.69 20.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.403 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 16.2 mt-10 -52.51 -29.37 24.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.079 0.466 . . . . 0.0 110.58 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.9 73.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.602 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -28.24 44.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.301 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.513 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 21.0 mm -65.55 -39.38 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.025 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -49.21 75.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.249 0.547 . . . . 0.0 109.681 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -39.86 80.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.63 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.521 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 10.6 t90 -56.12 -50.25 71.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.698 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 21.3 m-85 -69.4 -42.71 74.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.507 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -67.38 -30.95 70.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.565 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -65.82 -42.55 90.47 Favored 'General case' 0 C--N 1.334 -0.065 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.019 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.806 0.336 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.409 ' HB3' HD12 ' A' ' 34' ' ' LEU . 1.4 mtm180 -80.09 -23.49 41.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.335 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -58.2 -40.99 83.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 111.086 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -42.06 76.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.055 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -75.65 -39.08 58.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.791 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 30' ' ' ARG . 5.5 mt -65.39 -40.69 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.128 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.559 ' HA ' HD12 ' A' ' 40' ' ' LEU . 60.1 p -62.48 -48.57 79.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.641 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -38.44 81.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.706 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.48 -51.1 55.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.583 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.585 HD22 HD21 ' A' ' 40' ' ' LEU . 7.5 mp -84.79 -20.14 31.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.363 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.97 28.47 68.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.53 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD21 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -107.89 162.49 13.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.622 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 4.4 p30 -85.31 156.32 20.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.487 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.09 -29.79 32.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.06 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.622 ' HB3' ' OD1' ' A' ' 41' ' ' ASN . . . -58.55 -34.49 71.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.84 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -28.53 39.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.247 177.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.513 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 10.4 mm -65.62 -39.47 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.017 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -49.31 75.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.165 0.507 . . . . 0.0 109.879 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.76 -41.32 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.846 0.831 . . . . 0.0 109.615 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.9 t90 -55.39 -50.33 70.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.31 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 19.0 m-85 -69.7 -42.79 73.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -31.19 72.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.535 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.6 -41.77 65.24 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.802 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.912 0.387 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.85 -23.23 42.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.373 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -58.17 -43.43 87.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 111.022 -179.546 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -64.41 -41.75 96.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.038 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 14.3 mt-30 -75.66 -43.95 44.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.574 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD2' ' CZ2' ' A' ' 48' ' ' TRP . 3.3 mt -64.12 -40.62 96.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 111.238 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.569 ' HA ' HD12 ' A' ' 40' ' ' LEU . 42.1 t -65.23 -45.12 85.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.771 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -68.4 -46.66 69.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.83 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -64.51 -45.67 86.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.567 -179.068 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.652 HD13 HD21 ' A' ' 40' ' ' LEU . 11.0 mt -84.86 -20.74 30.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.418 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.59 29.2 71.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.322 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.652 HD21 HD13 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -108.76 162.64 13.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 0.0 110.837 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.97 155.79 20.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.725 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.3 mp0 -53.26 -29.53 33.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.82 -36.72 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.181 0.515 . . . . 0.0 109.631 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.49 -27.87 46.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.274 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.512 HD11 ' CD1' ' A' ' 40' ' ' LEU . 19.2 mm -65.63 -39.43 84.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.031 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -56.68 -48.86 76.7 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.181 0.515 . . . . 0.0 109.815 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.72 -40.06 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.695 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 10.0 t90 -57.5 -50.4 73.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.648 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.554 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 20.6 m-85 -69.59 -42.79 73.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.422 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -66.55 -31.14 71.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.419 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -74.36 -40.06 62.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 tttm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.12 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -27.5 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.579 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.563 ' HG3' HG21 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -59.77 -41.47 91.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 -179.546 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -37.89 68.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -34.76 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.345 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.464 HD11 ' CH2' ' A' ' 48' ' ' TRP . 0.4 OUTLIER -63.9 -40.38 96.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.923 -179.733 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.615 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -59.66 -53.49 57.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.753 179.749 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 p -68.38 -38.44 81.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.567 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.09 -48.94 64.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.623 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 40' ' ' LEU . 9.2 mp -84.85 -19.99 31.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.23 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.22 28.79 67.48 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.431 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -107.24 163.32 13.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 110.783 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.06 154.19 20.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.459 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 79.3 mm-40 -51.17 -28.98 12.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.138 0.494 . . . . 0.0 110.389 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.57 -35.6 72.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.713 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -28.46 41.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.146 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 49' ' ' PHE . 25.9 mm -65.67 -39.4 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -49.97 75.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.191 0.519 . . . . 0.0 109.924 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.99 -42.62 82.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.111 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.574 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.1 t90 -59.11 -50.31 74.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.682 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.702 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.2 m-85 -69.6 -42.64 74.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.253 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -31.02 72.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.445 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.59 -37.58 79.94 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.889 0.376 . . . . 0.0 110.828 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.055 -179.837 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.798 0.332 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -23.35 58.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.626 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HG2' HG21 ' A' ' 45' ' ' ILE . 6.1 mtp180 -58.25 -42.44 86.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.958 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -40.93 87.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.983 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -75.54 -43.23 49.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.565 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.22 -39.75 94.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 110.757 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.533 ' HA ' HD12 ' A' ' 40' ' ' LEU . 90.8 p -64.42 -51.71 61.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -38.91 82.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.412 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -67.53 -48.34 67.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.579 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' CD2' HD21 ' A' ' 40' ' ' LEU . 7.9 mp -84.85 -20.55 30.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.319 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.3 28.31 70.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.511 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -106.8 163.72 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.787 179.809 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.55 150.97 24.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.61 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.4 mt-10 -52.88 -29.29 27.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.098 0.475 . . . . 0.0 110.571 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.91 71.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.64 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -79.93 -27.85 39.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.227 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.56 HD11 ' CD1' ' A' ' 40' ' ' LEU . 18.5 mm -65.58 -39.41 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.009 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -57.03 -49.18 76.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.33 0.586 . . . . 0.0 109.828 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.81 -40.78 81.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.658 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 9.5 t90 -57.02 -50.34 73.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.643 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 19.2 m-85 -69.67 -42.76 73.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.419 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -66.82 -31.04 71.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.579 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -75.95 -37.85 58.19 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.892 0.377 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -80.15 -23.53 41.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.866 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.493 ' HG2' HG21 ' A' ' 45' ' ' ILE . 3.8 tmm_? -58.04 -37.45 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -42.7 73.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -75.42 -38.73 59.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.25 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.11 -39.61 94.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 110.922 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.523 ' HA ' HD12 ' A' ' 40' ' ' LEU . 2.8 t -65.86 -51.88 55.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -40.26 82.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.596 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -46.73 77.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.424 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.503 HD13 HD21 ' A' ' 40' ' ' LEU . 3.8 mt -84.87 -20.6 30.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.313 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.04 27.9 71.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.41 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -106.09 163.59 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.956 0.408 . . . . 0.0 110.802 179.74 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.53 151.41 23.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.589 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.438 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 1.1 tt0 -52.84 -29.14 26.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.108 0.48 . . . . 0.0 110.547 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.77 71.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.636 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -80.03 -27.88 39.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.198 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 49' ' ' PHE . 23.0 mm -65.55 -39.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -49.14 76.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.253 0.549 . . . . 0.0 109.901 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -41.62 82.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.832 178.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.549 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.9 t90 -56.85 -50.27 72.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.612 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CD1' HG23 ' A' ' 45' ' ' ILE . 19.2 m-85 -69.56 -42.77 74.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.345 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.97 -30.97 71.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.496 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -40.68 78.52 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HD2' ' CZ3' ' A' ' 48' ' ' TRP . 8.6 mttm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.807 0.337 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.38 -24.74 39.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.499 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HG2' HG21 ' A' ' 45' ' ' ILE . 5.1 tmm_? -61.28 -42.43 98.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 111.251 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -46.21 85.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.171 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -75.53 -39.71 57.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.525 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.502 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 16.1 mt -64.05 -40.72 96.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.763 0.316 . . . . 0.0 111.123 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.645 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -66.81 -50.67 61.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.698 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -68.52 -39.62 81.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.466 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -67.01 -49.4 65.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.458 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.467 HD13 HD21 ' A' ' 40' ' ' LEU . 3.0 mt -84.77 -15.57 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.357 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.71 32.03 70.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.291 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.6 OUTLIER -114.04 156.15 24.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 110.927 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -85.24 156.02 21.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.605 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -50.27 -29.78 10.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.07 0.462 . . . . 0.0 110.448 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' A' ' 46' ' ' LYS . . . -58.99 -33.1 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.944 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -82.33 -27.65 32.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.225 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.544 HG23 ' CD2' ' A' ' 49' ' ' PHE . 15.2 mm -65.72 -39.73 85.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.289 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 31.5 pttt -59.18 -47.88 83.68 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 109.91 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -69.15 -43.55 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 0.0 109.682 178.438 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 6.3 t90 -55.39 -50.37 69.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.274 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 15.7 m-85 -69.83 -42.76 73.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.015 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.46 -31.19 72.28 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 1.3 t-20 -80.52 -36.31 33.38 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.795 0.331 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -80.3 -23.67 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -61.46 -43.08 99.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -71.71 -39.48 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -74.71 -33.21 62.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 12.7 mt -64.04 -40.8 97.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.1 t -61.65 -53.51 55.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.976 0.417 . . . . 0.0 110.607 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -68.49 -38.26 80.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.509 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.58 -53.43 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.657 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.2 mp -85.24 -11.72 54.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.37 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.41 32.23 71.65 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.562 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.704 HD22 ' CB ' ' A' ' 44' ' ' GLN . 7.0 mt -101.76 154.86 18.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 111.504 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -87.36 147.18 25.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.354 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -50.6 -32.65 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.125 0.488 . . . . 0.0 110.062 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.52 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.49 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.704 ' CB ' HD22 ' A' ' 40' ' ' LEU . 19.9 mm100 -77.41 -29.42 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.558 0.694 . . . . 0.0 109.498 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.541 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 1.0 OUTLIER -65.89 -39.09 83.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.134 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -55.72 -48.27 75.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.213 0.53 . . . . 0.0 109.644 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -40.52 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.548 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.541 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . 9.7 t90 -55.36 -49.97 70.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.724 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 19.8 m-85 -69.43 -42.59 74.79 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.295 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.44 -31.03 71.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.559 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -79.1 -35.52 42.15 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.809 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 0.0 111.671 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -80.34 -27.87 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.34 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.471 ' HG2' HG21 ' A' ' 45' ' ' ILE . 33.5 mtp180 -59.28 -40.46 86.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.21 -44.73 87.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.18 -38.22 60.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.05 -38.75 92.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.921 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.652 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -65.28 -52.77 52.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.648 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.0 m -68.27 -40.66 81.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.446 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -64.61 -47.4 78.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.238 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.577 HD13 HD21 ' A' ' 40' ' ' LEU . 80.4 mt -84.87 -17.09 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.233 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.36 29.57 69.99 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -112.81 159.52 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.947 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -87.05 155.98 19.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.423 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 70.1 mt-10 -49.7 -29.06 6.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.358 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.16 74.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.605 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -27.93 43.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.227 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.613 HG23 ' CD2' ' A' ' 49' ' ' PHE . 24.6 mm -65.52 -39.51 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.955 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -57.7 -49.77 75.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.163 0.506 . . . . 0.0 109.832 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.87 -43.2 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.981 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.561 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 7.8 t90 -55.92 -50.28 71.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.328 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.613 ' CD2' HG23 ' A' ' 45' ' ' ILE . 16.7 m-85 -69.52 -42.74 74.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.283 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -64.35 -31.16 72.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.368 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.35 -42.0 38.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.772 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.856 0.36 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.857 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -80.11 -23.19 41.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.633 -179.506 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtp-105 -57.77 -40.67 80.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.914 0.388 . . . . 0.0 110.953 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -38.99 91.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.029 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.61 -35.23 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.857 HD12 ' O ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -64.13 -38.6 91.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.724 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.617 ' HA ' HD12 ' A' ' 40' ' ' LEU . 35.1 t -64.34 -53.31 50.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.753 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.2 t -68.17 -38.42 82.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.394 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.19 -48.63 72.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.389 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.656 HD22 HD21 ' A' ' 40' ' ' LEU . 2.9 mp -84.93 -20.61 30.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.309 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.91 28.64 66.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.656 HD21 HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -106.98 163.79 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.852 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.58 149.26 26.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.468 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 1.0 OUTLIER -52.29 -30.84 30.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.074 0.464 . . . . 0.0 110.412 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.97 70.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.779 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -78.42 -27.62 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.573 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.692 HG23 ' CD1' ' A' ' 49' ' ' PHE . 30.5 mm -65.39 -39.53 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.909 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -58.06 -51.04 71.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 109.676 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -69.07 -45.65 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.357 178.871 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 6.5 t90 -55.37 -50.32 70.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.262 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.692 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.1 m-85 -69.72 -42.79 73.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.914 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -62.04 -31.25 71.63 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.709 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -78.39 -38.2 42.25 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 0.0 110.748 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.824 0.345 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -25.59 42.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.321 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -60.77 -42.55 97.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.078 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -66.7 -41.03 88.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.132 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -75.42 -40.6 57.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.472 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.597 HD11 ' CH2' ' A' ' 48' ' ' TRP . 8.8 mt -64.01 -40.58 96.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.808 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.2 p -63.9 -51.69 63.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.7 m -68.44 -42.52 78.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.745 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.85 -52.39 20.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.848 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.82 -14.49 47.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.512 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.53 30.47 71.03 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.992 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 40' ' ' LEU . 12.8 mt -101.74 152.62 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.004 0.431 . . . . 0.0 111.206 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -87.16 151.23 23.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.535 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.21 -33.04 39.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.042 0.449 . . . . 0.0 110.371 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.34 89.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.82 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -30.12 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.733 . . . . 0.0 109.4 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.524 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 0.9 OUTLIER -65.99 -38.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.96 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -54.17 -47.66 71.77 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.292 0.568 . . . . 0.0 109.654 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -40.34 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.586 178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.597 ' CH2' HD11 ' A' ' 34' ' ' LEU . 10.2 t90 -55.38 -50.27 70.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.534 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.575 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 23.8 m-85 -69.54 -44.19 71.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.167 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -64.09 -30.95 71.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.449 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -80.47 -40.08 26.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.809 0.338 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -80.31 -31.21 38.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.333 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -58.98 -39.12 80.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.122 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -70.75 -41.09 72.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -75.42 -37.89 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.328 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.14 -40.4 96.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 0.0 110.63 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 t -60.91 -53.37 58.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.561 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -68.75 -43.21 76.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.561 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.69 -50.68 41.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.741 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -13.98 49.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.262 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.32 31.7 71.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.771 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.675 HD22 ' CB ' ' A' ' 44' ' ' GLN . 6.5 mt -101.79 155.58 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.12 0.486 . . . . 0.0 111.509 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -87.26 145.11 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.189 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -49.8 -32.5 14.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.499 . . . . 0.0 110.139 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.5 89.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.586 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.675 ' CB ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -77.53 -29.58 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.512 0.672 . . . . 0.0 109.555 178.758 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.538 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 1.1 mm -65.89 -39.21 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.038 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -49.72 72.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.211 0.529 . . . . 0.0 109.73 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -68.8 -40.27 81.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.836 0.827 . . . . 0.0 109.569 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.538 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . 9.6 t90 -55.24 -49.99 70.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.3 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.534 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 18.4 m-85 -69.44 -42.63 74.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.138 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -64.35 -31.17 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.432 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -73.84 -31.62 63.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 0.0 111.518 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.58 -23.67 59.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.558 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' HG2' HG21 ' A' ' 45' ' ' ILE . 6.0 mtm180 -60.68 -42.87 97.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.92 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -67.71 -37.91 82.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.34 -43.99 47.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -64.3 -39.89 94.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.637 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.504 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.2 t -61.17 -49.52 76.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.599 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 p -68.17 -38.49 82.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.2 -45.0 67.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.413 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.547 HD13 HD21 ' A' ' 40' ' ' LEU . 84.8 mt -84.89 -20.86 30.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.262 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.19 25.69 75.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.709 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.547 HD21 HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -107.06 163.68 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.077 0.465 . . . . 0.0 111.045 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -82.05 149.42 28.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.358 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 17.6 mt-10 -51.53 -28.97 15.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.115 0.483 . . . . 0.0 110.456 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.9 73.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -28.97 49.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.961 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.545 HG23 ' CD2' ' A' ' 49' ' ' PHE . 20.1 mm -65.51 -42.38 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.43 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -57.51 -45.87 84.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 47' ' ' ILE . 1.5 mm -68.67 -41.08 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.725 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.536 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 11.8 t90 -60.66 -50.5 73.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.85 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' CD2' HG23 ' A' ' 45' ' ' ILE . 23.0 m-85 -69.27 -42.58 75.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.264 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -66.15 -31.1 71.74 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.534 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -79.12 -42.51 26.09 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.699 0.285 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -80.35 -29.36 37.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HG2' HG21 ' A' ' 45' ' ' ILE . 43.3 mtp180 -61.22 -41.57 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.06 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -46.09 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -75.36 -37.45 60.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.371 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.431 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 20.3 mt -64.24 -37.58 87.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.966 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.656 ' HA ' HD12 ' A' ' 40' ' ' LEU . 66.1 p -64.03 -53.48 49.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.941 0.4 . . . . 0.0 110.564 179.606 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 t -68.22 -38.42 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.323 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -65.15 -48.38 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.271 -179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -84.83 -20.16 31.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.232 -179.831 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.74 26.65 64.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.405 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -110.37 159.9 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.003 0.43 . . . . 0.0 110.899 179.874 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.658 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 4.7 p30 -87.04 156.35 19.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.497 179.575 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.8 mp0 -51.34 -29.49 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 110.952 -179.509 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.658 ' HB3' ' OD1' ' A' ' 41' ' ' ASN . . . -58.57 -34.56 71.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.705 179.616 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -28.12 38.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.143 177.841 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 49' ' ' PHE . 27.3 mm -65.4 -39.47 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -57.84 -49.92 75.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.19 0.519 . . . . 0.0 109.857 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.78 -42.11 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.925 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.3 t90 -57.04 -50.18 73.53 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.473 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.598 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.3 m-85 -69.53 -42.63 74.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.335 179.449 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -66.21 -31.13 71.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.534 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -70.09 -42.49 72.67 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.734 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.746 0.308 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -80.36 -23.76 40.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.675 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.515 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -59.64 -41.86 91.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.176 -179.516 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -42.0 84.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.133 -179.773 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -75.53 -38.49 59.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.551 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 6.4 mt -64.12 -39.93 95.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.739 0.304 . . . . 0.0 111.099 -179.658 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.528 ' HA ' HD12 ' A' ' 40' ' ' LEU . 91.2 p -61.49 -51.14 69.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.662 179.663 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -38.4 81.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.679 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -49.22 69.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 111.371 -179.296 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.586 HD22 HD21 ' A' ' 40' ' ' LEU . 1.5 mp -84.99 -20.11 31.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.222 -179.628 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.04 29.62 68.72 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.228 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.586 HD21 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -106.86 162.21 14.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.914 0.388 . . . . 0.0 110.757 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.44 151.61 23.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.54 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -51.89 -29.19 18.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 110.467 179.694 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.79 71.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.606 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -79.82 -28.13 40.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.156 177.825 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.623 HG23 ' CD2' ' A' ' 49' ' ' PHE . 26.1 mm -65.61 -39.54 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -49.76 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.233 0.54 . . . . 0.0 109.897 179.342 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -68.71 -41.47 82.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.878 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.559 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 8.1 t90 -58.55 -50.8 72.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.436 -179.48 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 45' ' ' ILE . 18.4 m-85 -69.92 -43.07 72.41 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.246 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.96 -30.95 71.6 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.616 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -75.97 -31.31 58.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.818 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HD3' ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 N--CA 1.461 0.099 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -23.73 40.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.455 -179.762 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -58.94 -39.66 82.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.745 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -46.92 76.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.252 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -75.32 -36.99 60.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.39 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.543 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 14.7 mt -64.13 -37.74 88.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.006 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -64.97 -53.74 41.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.7 179.815 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 p -68.66 -38.32 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.531 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -65.45 -45.5 83.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.773 -179.034 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.502 HD22 HD21 ' A' ' 40' ' ' LEU . 6.7 mp -84.88 -20.46 30.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.354 -179.492 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.47 17.31 79.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.854 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.502 HD21 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -101.85 161.48 13.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.635 179.71 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.67 153.22 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.636 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 3.5 mp0 -49.8 -29.18 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.107 0.48 . . . . 0.0 110.375 179.651 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.49 72.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.569 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -79.92 -27.87 39.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.163 177.882 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.585 HG23 ' CD1' ' A' ' 49' ' ' PHE . 24.5 mm -65.61 -39.36 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.763 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -50.8 71.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.32 0.581 . . . . 0.0 109.85 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -42.9 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.022 178.817 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.558 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.7 t90 -55.32 -50.16 70.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.316 -179.534 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CD1' HG23 ' A' ' 45' ' ' ILE . 17.9 m-85 -69.39 -42.48 75.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.06 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -31.11 71.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.563 179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.91 -36.71 56.44 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.744 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 10.6 tttp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.88 0.371 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -80.53 -23.37 40.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.288 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.646 ' HG2' HG21 ' A' ' 45' ' ' ILE . 3.8 mtp180 -58.06 -42.31 85.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -44.95 92.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.175 -179.685 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -75.62 -40.63 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.854 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.675 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 7.4 mt -64.02 -40.76 97.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.627 0.251 . . . . 0.0 111.457 -179.177 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.61 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.07 -46.5 87.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.897 0.379 . . . . 0.0 110.735 179.916 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.5 t -68.37 -45.9 71.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.755 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.07 -44.96 90.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.782 0.325 . . . . 0.0 111.457 -179.238 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.695 HD23 HD21 ' A' ' 40' ' ' LEU . 8.9 mp -84.95 -18.48 34.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.339 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.73 30.2 70.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.24 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.695 HD21 HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -113.29 158.51 20.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -86.84 155.9 20.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.531 179.635 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.4 mt-10 -50.49 -29.17 9.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.118 0.485 . . . . 0.0 110.51 179.676 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.81 73.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.676 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -79.56 -28.05 41.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.204 177.917 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.735 HG23 ' CD1' ' A' ' 49' ' ' PHE . 23.4 mm -65.71 -39.41 84.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.679 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -58.23 -50.08 74.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.189 0.519 . . . . 0.0 109.996 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -68.87 -43.77 82.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.054 178.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.592 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.2 t90 -58.12 -50.37 73.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.422 -179.603 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.735 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.2 m-85 -69.5 -42.73 74.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.265 179.402 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -31.19 72.27 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.294 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -72.91 -33.85 66.26 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.916 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.971 0.415 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -79.8 -23.58 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.523 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.492 ' HG2' HG21 ' A' ' 45' ' ' ILE . 1.6 mtm180 -60.26 -41.93 94.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.076 -179.54 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -63.5 -44.6 93.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.485 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -75.41 -40.4 57.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.559 -179.518 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.556 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 11.0 mt -64.16 -40.67 96.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.087 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.614 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -66.77 -49.91 64.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.71 179.81 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.28 -41.43 81.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.302 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.5 -46.59 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.452 -179.428 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 34' ' ' LEU . 3.1 mt -84.82 -18.86 33.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.307 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.44 30.83 63.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.235 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -114.47 158.77 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.931 0.396 . . . . 0.0 110.891 179.906 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -86.08 155.85 20.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.654 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 19.3 mp0 -52.36 -29.31 23.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.46 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.05 73.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.615 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -79.15 -27.82 42.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.224 177.915 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.597 HG23 ' CD2' ' A' ' 49' ' ' PHE . 20.8 mm -65.49 -39.36 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -57.51 -50.77 71.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.197 0.522 . . . . 0.0 109.852 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.88 -43.06 82.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.99 178.852 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 6.8 t90 -55.31 -50.26 70.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.118 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.597 ' CD2' HG23 ' A' ' 45' ' ' ILE . 16.0 m-85 -69.62 -42.61 74.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.772 179.093 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -31.2 70.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.461 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.27 -37.61 66.24 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.833 0.349 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -86.1 119.51 26.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -157.27 -59.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -142.94 171.16 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -132.48 -174.15 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -73.95 98.76 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.45 80.02 0.16 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.152 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m120 61.75 80.04 0.23 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.354 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -160.69 -58.06 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.439 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.937 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 3.1 p90 -39.55 -47.43 1.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.776 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.937 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.58 -18.74 6.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.183 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.937 ' N ' HD13 ' A' ' 26' ' ' LEU . 21.4 m -55.31 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.14 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.31 -34.53 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.56 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -48.84 69.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.209 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.478 ' HD2' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -80.39 -26.01 38.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.435 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -63.68 -43.49 96.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.238 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.64 -37.34 70.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.63 -38.97 58.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.998 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.759 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 13.4 mt -64.13 -37.08 86.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.747 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.639 ' HA ' HD12 ' A' ' 40' ' ' LEU . 87.7 p -61.2 -53.51 55.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.9 p -68.36 -38.51 81.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.209 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.26 -48.34 68.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.585 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 40' ' ' LEU . 7.4 mp -84.88 -20.49 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.3 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.8 27.78 66.29 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.429 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -108.37 163.42 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.695 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.54 152.05 22.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.755 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 61.0 mt-10 -52.51 -29.11 23.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.98 71.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.64 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -79.94 -27.95 39.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.223 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.681 HG23 ' CD1' ' A' ' 49' ' ' PHE . 20.4 mm -65.57 -39.56 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.79 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -50.44 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.182 0.515 . . . . 0.0 109.844 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -43.02 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.016 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 6.7 t90 -58.14 -50.46 73.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.403 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.759 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 18.0 m-85 -69.71 -42.76 73.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.369 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.77 -31.07 71.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.47 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -74.58 -33.25 62.63 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -31.75 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.49 -28.77 33.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.2 -68.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -46.04 87.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 23.5 mt 64.68 100.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER 45.71 -170.54 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.553 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.15 -42.27 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.746 0.308 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttp 60.19 -170.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.79 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.968 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.3 174.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.767 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -159.11 -174.24 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.496 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 1.9 m120 -73.92 98.9 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.88 87.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.541 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 5.3 m120 54.12 77.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.393 0.616 . . . . 0.0 110.699 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 41.7 mmm-85 -156.15 -65.13 0.11 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.3 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.973 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 2.5 p90 -33.73 -47.69 0.25 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.266 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.973 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.94 -18.7 6.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.492 -179.521 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.907 ' N ' HD13 ' A' ' 26' ' ' LEU . 16.1 m -54.71 -79.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 111.256 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -49.72 -34.2 18.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.811 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -48.85 63.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.592 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.65 ' HD2' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -80.13 -30.46 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.447 -179.668 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -62.74 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.244 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.27 -43.24 91.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -40.68 57.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.374 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.694 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 14.6 mt -64.14 -37.43 87.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.97 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.549 ' HA ' HD12 ' A' ' 40' ' ' LEU . 44.9 t -60.58 -49.6 76.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -38.41 81.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -49.0 67.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.424 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.68 HD22 HD21 ' A' ' 40' ' ' LEU . 3.4 mp -84.99 -20.58 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.327 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.56 30.34 66.68 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.68 HD21 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.85 163.64 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.421 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -83.48 148.89 26.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.709 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 3.3 mm-40 -52.61 -29.19 24.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.126 0.489 . . . . 0.0 110.544 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.2 70.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.723 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -80.85 -27.75 36.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.203 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' A' ' 49' ' ' PHE . 21.5 mm -65.6 -39.34 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.942 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -57.54 -49.59 75.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.287 0.565 . . . . 0.0 109.983 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -42.48 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.901 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.1 t90 -56.6 -50.18 72.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.524 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.694 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 17.5 m-85 -69.54 -42.77 74.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.298 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -63.05 -31.25 72.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.235 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -80.53 -31.2 37.1 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 120.883 0.373 . . . . 0.0 110.683 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -39.34 82.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -114.49 99.1 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -168.69 31.99 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -128.2 31.59 5.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.8 mt -135.67 78.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.8 tttm 59.11 169.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.981 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -129.92 57.2 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.955 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.795 0.331 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.95 77.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -82.46 -68.59 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 58.62 90.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -112.82 -174.52 2.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.036 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 2.2 m-20 -89.07 99.88 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.263 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 82.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.206 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 m120 60.5 76.9 0.35 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.403 0.621 . . . . 0.0 110.428 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 1.6 mtt85 -160.51 -54.82 0.05 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.218 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.932 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 4.0 p90 -42.05 -46.64 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.751 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.955 HD13 ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -122.27 -20.55 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.404 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.955 ' N ' HD13 ' A' ' 26' ' ' LEU . 21.1 m -48.77 -80.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 111.265 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -55.5 -33.7 63.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.797 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -48.84 72.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.418 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -80.27 -25.48 39.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.512 -179.717 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HG2' HG21 ' A' ' 45' ' ' ILE . 42.7 mtp180 -61.43 -42.27 98.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 0.0 111.232 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -67.44 -44.7 78.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -75.5 -36.84 60.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.744 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.698 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 13.2 mt -64.13 -40.55 96.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.142 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.509 ' HA ' HD12 ' A' ' 40' ' ' LEU . 86.5 p -58.13 -49.49 76.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.681 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -68.38 -39.73 81.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.656 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -48.53 69.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.502 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.558 HD22 HD21 ' A' ' 40' ' ' LEU . 2.0 mp -84.87 -20.4 30.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.294 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.87 27.41 70.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD21 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -110.14 163.58 13.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.567 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 4.1 p30 -86.2 156.25 20.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.628 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.0 mt-10 -55.27 -30.15 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.134 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.567 ' HB3' ' OD1' ' A' ' 41' ' ' ASN . . . -58.46 -34.43 70.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.085 0.469 . . . . 0.0 109.782 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -80.31 -28.09 38.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.129 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.512 HG23 ' CD1' ' A' ' 49' ' ' PHE . 17.1 mm -65.6 -39.46 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.988 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -49.17 76.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.208 0.528 . . . . 0.0 109.78 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.4 mp -68.73 -40.24 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.82 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.559 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 9.4 t90 -58.09 -50.27 74.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.797 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.698 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 20.3 m-85 -69.58 -42.84 73.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.468 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.37 -30.91 69.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ILE . 23.1 t-20 -75.9 -35.44 59.82 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.758 0.313 . . . . 0.0 111.221 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 2.0 tttm -57.82 -31.71 66.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.976 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.713 ' HA ' HD11 ' A' ' 56' ' ' ILE . 52.0 mtp85 -99.24 15.56 25.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.24 -57.27 13.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 111.224 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -133.05 -47.77 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.713 HD11 ' HA ' ' A' ' 53' ' ' ARG . 36.6 mt 61.03 87.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.029 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 168.27 26.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -101.51 30.86 4.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.843 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.84 0.352 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -129.11 110.71 12.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -65.29 137.4 57.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -101.9 133.04 47.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -77.67 -176.16 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -81.69 98.77 8.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.81 84.53 0.92 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.258 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 11.4 m120 62.14 78.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.45 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 23' ' ' ASN . 88.2 mtt-85 -162.01 -60.22 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.36 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.658 ' CZ ' HD22 ' A' ' 26' ' ' LEU . 4.1 p90 -40.76 -46.83 2.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.285 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.728 HD23 ' N ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -123.89 -12.08 7.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.728 ' N ' HD23 ' A' ' 26' ' ' LEU . 9.5 m -48.16 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 27' ' ' THR . 2.5 mt-10 -59.25 -39.83 84.07 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -65.53 -48.84 71.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 111.574 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HG2' HD12 ' A' ' 34' ' ' LEU . 24.3 ttt180 -80.08 -22.92 41.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.683 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.592 ' HG2' HG21 ' A' ' 45' ' ' ILE . 6.6 mtp180 -57.53 -39.74 77.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 111.083 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -46.15 87.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.999 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -75.62 -42.11 52.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.647 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD12 ' HG2' ' A' ' 30' ' ' ARG . 6.3 mt -63.83 -40.57 96.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 0.0 110.986 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.598 ' HA ' HD12 ' A' ' 40' ' ' LEU . 47.4 t -64.7 -50.59 66.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.572 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.0 m -68.34 -41.06 81.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.706 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' OE1' HD12 ' A' ' 38' ' ' LEU . 1.3 tm-20 -64.78 -46.57 81.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.466 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 40' ' ' LEU . 11.2 mp -84.98 -16.39 41.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.373 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.33 29.67 69.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.135 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -113.34 157.86 21.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.77 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -87.04 155.86 19.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.517 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.434 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.1 mt-10 -51.34 -29.22 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.116 0.484 . . . . 0.0 110.514 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.81 73.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.631 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -79.2 -27.86 42.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.256 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.637 HG23 ' CD1' ' A' ' 49' ' ' PHE . 23.5 mm -65.61 -39.42 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.813 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -57.97 -49.68 75.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.244 0.545 . . . . 0.0 109.823 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.75 -41.66 82.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.862 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.567 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.6 t90 -58.47 -50.46 73.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.527 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.637 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.4 m-85 -69.56 -42.74 74.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.555 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -68.11 -30.97 70.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.698 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -74.4 -28.98 61.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.041 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 4.4 mttt -71.79 -29.38 64.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -85.38 7.99 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.472 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.98 -28.76 29.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.067 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.17 -36.23 13.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.0 mt 51.79 97.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.235 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -60.37 132.24 53.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.45 -51.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.9 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.822 0.344 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -95.67 128.54 42.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -78.42 -51.66 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 61.69 76.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -87.36 -176.09 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -101.07 99.52 9.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.787 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -55.12 -47.56 74.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.053 0.454 . . . . 0.0 110.169 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.406 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 5.5 m120 -152.93 82.17 1.21 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.174 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -157.11 -66.45 0.1 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.713 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.963 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 2.2 p90 -35.26 -48.09 0.44 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.48 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.963 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.17 -19.04 6.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.439 -179.325 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.918 ' N ' HD13 ' A' ' 26' ' ' LEU . 17.2 m -55.85 -68.76 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.323 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.8 -39.06 73.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.76 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.2 79.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.61 ' HD2' HD23 ' A' ' 26' ' ' LEU . 8.3 ttt180 -79.84 -23.5 41.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.46 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' CG ' HG21 ' A' ' 45' ' ' ILE . 3.5 mtp180 -60.14 -41.29 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 111.269 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.45 -45.83 89.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.965 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.58 -42.91 50.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.565 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 11.9 mt -64.17 -40.67 96.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 111.014 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.618 ' HA ' HD12 ' A' ' 40' ' ' LEU . 9.1 t -65.53 -49.78 67.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.615 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -68.36 -43.81 76.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.721 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.32 -45.94 85.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.449 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.503 HD13 HD21 ' A' ' 40' ' ' LEU . 6.9 mt -84.93 -20.31 30.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.216 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.63 27.19 71.51 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -109.68 161.5 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.604 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 4.2 p30 -86.96 156.34 19.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.648 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 64.4 mt-10 -53.94 -29.78 43.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.604 ' HB3' ' OD1' ' A' ' 41' ' ' ASN . . . -58.55 -34.19 70.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.743 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -80.27 -28.08 38.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.277 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.587 HG23 ' CD1' ' A' ' 49' ' ' PHE . 20.3 mm -65.59 -39.44 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -57.56 -49.34 76.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.243 0.544 . . . . 0.0 109.943 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -41.44 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.814 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.587 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.5 t90 -58.35 -50.69 72.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.371 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.594 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 18.4 m-85 -69.87 -44.21 70.28 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.056 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.11 -31.11 72.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.455 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -73.8 -35.87 64.95 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 1.6 mttm -69.35 -29.67 67.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -91.26 12.86 18.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.323 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.2 26.99 4.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 111.078 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -110.27 33.06 4.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.7 mt -115.5 75.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 179.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -141.0 168.96 18.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.811 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.762 0.315 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.73 161.52 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.12 -176.42 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 16.8 mt-10 62.42 107.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 28.6 p90 45.86 -172.92 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.64 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.486 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . 11.4 m-20 -92.96 101.12 13.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -56.32 136.55 53.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.44 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.6 m120 44.77 38.16 2.68 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.522 0.677 . . . . 0.0 111.279 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.486 ' HB2' ' CB ' ' A' ' 21' ' ' ASN . 3.5 mmt85 -138.58 -49.75 0.54 Allowed 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.058 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.752 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 2.2 p90 -42.42 -46.19 4.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.78 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.787 HD13 ' HD2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -119.4 -29.42 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.407 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 28' ' ' GLU . 18.2 m -43.98 -83.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.938 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' N ' HG22 ' A' ' 27' ' ' THR . 13.3 mt-10 -61.56 -34.32 75.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.023 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -61.81 -48.72 79.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.021 0.439 . . . . 0.0 110.96 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.787 ' HD2' HD13 ' A' ' 26' ' ' LEU . 26.6 mtt180 -80.22 -23.63 40.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.434 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -61.65 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -64.26 -45.63 87.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -75.61 -38.56 58.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.656 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.697 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 12.2 mt -64.17 -37.53 87.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 111.017 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.418 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -62.29 -53.63 52.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.506 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -38.42 80.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.495 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.1 -48.53 70.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.379 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.424 HD13 HD21 ' A' ' 40' ' ' LEU . 5.4 mt -84.8 -20.48 30.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.244 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.46 22.2 79.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.789 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -104.63 159.93 15.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.749 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -83.22 154.0 24.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.66 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.8 mm-40 -52.21 -29.51 22.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.073 0.463 . . . . 0.0 110.599 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.5 73.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.517 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -79.52 -27.76 41.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.203 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.626 HG23 ' CD1' ' A' ' 49' ' ' PHE . 24.5 mm -65.51 -39.6 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -49.58 76.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.204 0.526 . . . . 0.0 109.952 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -42.31 82.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.876 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.571 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.0 t90 -57.77 -50.3 73.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.426 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.697 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 17.8 m-85 -69.64 -42.79 73.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.458 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 1.6 mt-30 -65.85 -31.09 71.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.433 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -68.81 -38.79 80.13 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.724 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -39.35 94.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.739 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? -127.05 100.83 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 50' ' ' GLN . . . -166.31 -48.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -98.3 28.43 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.3 mt -141.53 78.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.4 84.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -147.33 51.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.818 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 139.66 39.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -34.07 31.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 59.79 160.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -158.24 -179.03 7.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 1.4 m-80 -83.71 117.72 23.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.649 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.97 104.03 16.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.255 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.595 ' HB3' HG21 ' A' ' 27' ' ' THR . 5.8 m120 61.4 39.68 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.501 0.667 . . . . 0.0 111.385 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 38.7 mtt180 -134.52 -45.9 0.75 Allowed 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.159 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.922 ' CE2' HD23 ' A' ' 26' ' ' LEU . 2.4 p90 -50.53 -46.55 57.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.862 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.922 HD23 ' CE2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -125.74 -41.03 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.63 -179.048 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.623 HG22 ' N ' ' A' ' 28' ' ' GLU . 1.1 m -46.15 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.569 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.623 ' N ' HG22 ' A' ' 27' ' ' THR . 1.8 mm-40 -61.71 -36.31 80.57 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -48.9 69.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.463 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.578 ' O ' HD12 ' A' ' 34' ' ' LEU . 1.2 ttt180 -80.14 -23.32 41.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.309 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.585 ' NH1' HG23 ' A' ' 27' ' ' THR . 7.0 mtm-85 -57.98 -40.3 80.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.966 0.412 . . . . 0.0 111.021 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -40.06 75.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.18 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.59 -39.06 58.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.423 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -64.35 -39.58 94.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.119 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.59 ' HA ' HD12 ' A' ' 40' ' ' LEU . 90.5 p -60.93 -48.85 79.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 t -68.28 -43.65 77.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.531 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.86 83.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.494 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' CD1' HD23 ' A' ' 34' ' ' LEU . 3.5 mt -84.86 -20.44 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.306 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.52 29.7 67.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -113.44 163.34 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.02 155.44 20.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.7 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 28.0 mt-10 -53.78 -29.51 40.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.064 0.459 . . . . 0.0 110.592 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.79 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.245 0.545 . . . . 0.0 109.694 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -78.2 -27.74 47.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.362 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.529 HD11 ' CD1' ' A' ' 40' ' ' LEU . 14.9 mm -65.56 -39.47 85.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.102 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -57.29 -49.48 75.96 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.246 0.546 . . . . 0.0 109.93 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.82 -40.5 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.843 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.555 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 9.2 t90 -57.19 -50.44 72.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.652 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.57 ' HZ ' HD13 ' A' ' 34' ' ' LEU . 20.0 m-85 -69.59 -42.68 74.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.44 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 5.3 mt-30 -66.63 -31.01 71.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -78.48 -41.31 32.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -64.32 -36.95 85.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 mtp-105 -128.7 102.42 6.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 50' ' ' GLN . . . -144.66 -54.75 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.58 -55.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.2 mt 58.71 99.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.42 165.3 19.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -98.78 31.18 3.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.958 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.713 0.292 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -108.95 155.08 21.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -138.38 131.11 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.719 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -72.32 118.77 15.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -107.88 -174.22 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -66.06 98.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.305 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.12 85.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 m120 64.69 90.83 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.659 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.541 ' HG3' ' N ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -171.82 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.138 -179.008 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.928 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 2.2 p90 -42.55 -47.48 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.501 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.928 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.64 -19.2 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.926 ' N ' HD13 ' A' ' 26' ' ' LEU . 18.1 m -55.69 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.745 0.307 . . . . 0.0 111.095 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.447 ' N ' HG22 ' A' ' 27' ' ' THR . 36.1 mt-10 -61.91 -33.61 74.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.667 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -48.65 77.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.22 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 10.1 ttm-85 -80.09 -23.82 41.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.284 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.45 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 111.095 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -63.64 -43.59 96.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -42.25 55.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.277 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.424 HD22 ' CZ2' ' A' ' 48' ' ' TRP . 17.9 mt -64.21 -37.35 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.54 ' HA ' HD12 ' A' ' 40' ' ' LEU . 83.5 p -67.72 -52.0 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.697 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 p -68.24 -41.56 80.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.52 -46.29 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.439 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD13 HD21 ' A' ' 40' ' ' LEU . 10.7 mt -84.79 -20.63 30.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.99 24.95 75.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.708 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -107.73 163.66 12.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.971 0.415 . . . . 0.0 110.854 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -87.05 155.69 20.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.403 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 16.2 mt-10 -52.51 -29.37 24.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.079 0.466 . . . . 0.0 110.58 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.9 73.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.602 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -28.24 44.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.301 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.513 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 21.0 mm -65.55 -39.38 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.025 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -49.21 75.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.249 0.547 . . . . 0.0 109.681 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -39.86 80.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.63 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.521 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 10.6 t90 -56.12 -50.25 71.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.698 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 21.3 m-85 -69.4 -42.71 74.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.507 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -67.38 -30.95 70.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.565 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -65.82 -42.55 90.47 Favored 'General case' 0 C--N 1.334 -0.065 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.019 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -30.49 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -27.28 60.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.56 64.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.325 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 25.91 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.092 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.0 mt -153.0 86.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.37 77.13 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.91 175.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.917 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -74.47 115.62 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -106.44 -41.41 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -118.83 141.93 48.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.69 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -155.68 -178.76 7.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 111.192 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 78.5 m-20 -102.04 103.41 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.14 -45.43 71.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.073 0.463 . . . . 0.0 110.197 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -152.08 79.71 1.25 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.145 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 27.9 mtm-85 -159.74 -54.9 0.06 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.559 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.939 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 3.4 p90 -42.28 -48.04 4.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.855 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.948 HD13 ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -121.38 -20.15 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 -179.683 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.948 ' N ' HD13 ' A' ' 26' ' ' LEU . 34.7 m -50.89 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 0.0 111.264 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -59.02 -34.06 71.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.447 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -48.53 76.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.109 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 1.4 mtm180 -80.09 -23.49 41.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.335 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HD3' HG22 ' A' ' 27' ' ' THR . 1.2 mtp85 -58.2 -40.99 83.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 111.086 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -42.06 76.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.055 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -75.65 -39.08 58.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.791 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 30' ' ' ARG . 5.5 mt -65.39 -40.69 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.128 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.559 ' HA ' HD12 ' A' ' 40' ' ' LEU . 60.1 p -62.48 -48.57 79.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.641 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -38.44 81.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.706 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.48 -51.1 55.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.583 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.585 HD22 HD21 ' A' ' 40' ' ' LEU . 7.5 mp -84.79 -20.14 31.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.363 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.97 28.47 68.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.53 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD21 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -107.89 162.49 13.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.622 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 4.4 p30 -85.31 156.32 20.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.487 179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.09 -29.79 32.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.06 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.622 ' HB3' ' OD1' ' A' ' 41' ' ' ASN . . . -58.55 -34.49 71.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.84 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -28.53 39.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.247 177.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.513 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 10.4 mm -65.62 -39.47 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.017 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -49.31 75.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.165 0.507 . . . . 0.0 109.879 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.76 -41.32 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.846 0.831 . . . . 0.0 109.615 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.9 t90 -55.39 -50.33 70.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.31 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 19.0 m-85 -69.7 -42.79 73.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -31.19 72.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.535 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.6 -41.77 65.24 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.802 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -31.99 65.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -81.47 -1.06 44.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.424 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.65 28.06 4.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.868 0.366 . . . . 0.0 111.211 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -97.31 -44.35 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mt 59.86 82.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 78.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.31 -40.19 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.891 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.746 0.307 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -108.52 170.39 8.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.07 129.73 17.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 3.7 mt-10 -89.05 109.4 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.469 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 14.8 p90 46.44 -173.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.551 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -65.14 96.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.67 85.47 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m120 66.35 91.25 0.09 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.791 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' CG ' ' N ' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -172.9 -66.73 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.044 -179.179 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.943 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 2.3 p90 -33.59 -45.37 0.17 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.72 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.943 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -123.04 -19.56 6.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.077 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.934 ' N ' HD13 ' A' ' 26' ' ' LEU . 24.5 m -55.45 -48.1 75.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.08 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.71 -52.99 62.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.781 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -41.7 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.912 0.387 . . . . 0.0 111.154 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HG3' HD23 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -79.85 -23.23 42.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.373 -179.759 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.647 ' HD2' HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -58.17 -43.43 87.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 111.022 -179.546 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -64.41 -41.75 96.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.038 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 14.3 mt-30 -75.66 -43.95 44.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.574 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD2' ' CZ2' ' A' ' 48' ' ' TRP . 3.3 mt -64.12 -40.62 96.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 111.238 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.569 ' HA ' HD12 ' A' ' 40' ' ' LEU . 42.1 t -65.23 -45.12 85.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.771 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -68.4 -46.66 69.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.83 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -64.51 -45.67 86.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.567 -179.068 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.652 HD13 HD21 ' A' ' 40' ' ' LEU . 11.0 mt -84.86 -20.74 30.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.418 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.59 29.2 71.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.322 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.652 HD21 HD13 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -108.76 162.64 13.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 0.0 110.837 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.97 155.79 20.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.725 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.3 mp0 -53.26 -29.53 33.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.82 -36.72 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.181 0.515 . . . . 0.0 109.631 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.49 -27.87 46.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.274 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.512 HD11 ' CD1' ' A' ' 40' ' ' LEU . 19.2 mm -65.63 -39.43 84.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.031 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -56.68 -48.86 76.7 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.181 0.515 . . . . 0.0 109.815 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.72 -40.06 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.695 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 10.0 t90 -57.5 -50.4 73.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.648 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.554 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 20.6 m-85 -69.59 -42.79 73.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.422 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -66.55 -31.14 71.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.419 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -74.36 -40.06 62.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -65.26 -34.78 79.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -65.42 -28.07 68.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.007 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.45 -30.71 63.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.92 -24.53 55.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.011 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.5 mt 68.24 103.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.091 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -155.45 104.99 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.08 117.89 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.88 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.852 0.358 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.87 -177.87 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -120.2 168.4 11.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.663 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.06 172.6 13.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.792 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -165.52 -174.99 3.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.698 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 19.5 m-80 -100.16 104.04 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.05 80.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.156 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.423 ' C ' ' HG2' ' A' ' 24' ' ' ARG . 12.1 m120 59.45 74.36 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.46 0.648 . . . . 0.0 110.448 -179.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.462 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 24.9 mmt180 -156.71 -53.91 0.08 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.117 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.967 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 3.5 p90 -47.06 -47.68 22.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.007 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.967 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.83 -20.57 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.546 -179.257 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.948 ' N ' HD13 ' A' ' 26' ' ' LEU . 5.0 m -53.77 -87.89 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.668 0.27 . . . . 0.0 110.968 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.611 ' N ' HG22 ' A' ' 27' ' ' THR . 39.7 mt-10 -54.61 -34.05 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.4 -49.14 62.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -27.5 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.579 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.563 ' HG3' HG21 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -59.77 -41.47 91.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 -179.546 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -37.89 68.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -34.76 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.345 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.464 HD11 ' CH2' ' A' ' 48' ' ' TRP . 0.4 OUTLIER -63.9 -40.38 96.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.923 -179.733 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.615 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -59.66 -53.49 57.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.753 179.749 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 p -68.38 -38.44 81.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.567 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.09 -48.94 64.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.623 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 40' ' ' LEU . 9.2 mp -84.85 -19.99 31.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.23 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.22 28.79 67.48 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.431 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -107.24 163.32 13.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 110.783 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.06 154.19 20.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.459 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 79.3 mm-40 -51.17 -28.98 12.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.138 0.494 . . . . 0.0 110.389 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.57 -35.6 72.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.713 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -28.46 41.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.146 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 49' ' ' PHE . 25.9 mm -65.67 -39.4 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -49.97 75.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.191 0.519 . . . . 0.0 109.924 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.99 -42.62 82.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.111 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.574 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.1 t90 -59.11 -50.31 74.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.682 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.702 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.2 m-85 -69.6 -42.64 74.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.253 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -31.02 72.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.445 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.59 -37.58 79.94 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.889 0.376 . . . . 0.0 110.828 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -58.85 -35.11 72.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.055 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 mmt-85 -104.07 15.57 28.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.336 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.41 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.085 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -34.06 69.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.8 mt 64.77 98.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -121.38 140.35 52.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -76.31 157.53 32.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.892 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.794 0.331 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 103.95 9.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -173.36 -63.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -131.82 160.74 34.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -72.39 -176.39 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.433 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 1.7 m-20 -84.47 130.44 34.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.697 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -96.95 114.28 25.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.703 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 56.97 37.26 28.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.587 0.708 . . . . 0.0 110.523 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -140.16 -44.71 0.42 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.674 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.476 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 5.8 p90 -53.86 -47.65 70.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.049 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.89 HD23 ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -125.25 -41.22 2.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.406 -178.34 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.89 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.2 m -42.99 -49.89 5.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.888 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.57 -53.68 53.11 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -65.92 -41.46 91.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 111.303 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' HB2' ' HG ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -74.89 -23.35 58.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.626 -179.533 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HG2' HG21 ' A' ' 45' ' ' ILE . 6.1 mtp180 -58.25 -42.44 86.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.958 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -40.93 87.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.983 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -75.54 -43.23 49.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.565 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.22 -39.75 94.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 110.757 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.533 ' HA ' HD12 ' A' ' 40' ' ' LEU . 90.8 p -64.42 -51.71 61.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -38.91 82.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.412 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -67.53 -48.34 67.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.579 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' CD2' HD21 ' A' ' 40' ' ' LEU . 7.9 mp -84.85 -20.55 30.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.319 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.3 28.31 70.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.511 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -106.8 163.72 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.787 179.809 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.55 150.97 24.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.61 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.4 mt-10 -52.88 -29.29 27.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.098 0.475 . . . . 0.0 110.571 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.91 71.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.64 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -79.93 -27.85 39.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.227 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.56 HD11 ' CD1' ' A' ' 40' ' ' LEU . 18.5 mm -65.58 -39.41 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.009 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -57.03 -49.18 76.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.33 0.586 . . . . 0.0 109.828 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.81 -40.78 81.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.658 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 9.5 t90 -57.02 -50.34 73.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.643 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 19.2 m-85 -69.67 -42.76 73.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.419 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -66.82 -31.04 71.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.579 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -75.95 -37.85 58.19 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -44.02 97.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.79 101.91 7.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.08 -48.64 2.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -85.93 -64.78 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mt 63.98 102.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.98 130.63 14.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm 60.49 169.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.974 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -140.53 113.12 8.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -165.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.814 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 61.9 176.63 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -167.19 -172.64 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.429 ' HB3' ' HB3' ' A' ' 24' ' ' ARG . 6.7 m-20 -60.56 96.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.209 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -60.95 98.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.599 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.761 ' HB3' HG21 ' A' ' 27' ' ' THR . 2.6 m-80 62.64 87.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.698 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' N ' ' HB ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -177.04 -70.31 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.938 -179.024 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 5.3 p90 -39.22 -47.44 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.985 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -124.04 -37.23 2.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.141 -178.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.806 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.4 m -46.85 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.511 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.646 ' N ' HG22 ' A' ' 27' ' ' THR . 11.4 mt-10 -49.82 -38.93 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -66.98 -48.72 67.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 111.62 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -80.15 -23.53 41.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.866 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.493 ' HG2' HG21 ' A' ' 45' ' ' ILE . 3.8 tmm_? -58.04 -37.45 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -42.7 73.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -75.42 -38.73 59.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.25 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.11 -39.61 94.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 110.922 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.523 ' HA ' HD12 ' A' ' 40' ' ' LEU . 2.8 t -65.86 -51.88 55.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -40.26 82.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.596 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -46.73 77.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.424 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.503 HD13 HD21 ' A' ' 40' ' ' LEU . 3.8 mt -84.87 -20.6 30.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.313 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.04 27.9 71.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.41 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -106.09 163.59 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.956 0.408 . . . . 0.0 110.802 179.74 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.53 151.41 23.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.589 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 1.1 tt0 -52.84 -29.14 26.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.108 0.48 . . . . 0.0 110.547 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.77 71.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.636 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -80.03 -27.88 39.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.198 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 49' ' ' PHE . 23.0 mm -65.55 -39.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -49.14 76.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.253 0.549 . . . . 0.0 109.901 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -41.62 82.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.832 178.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.549 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.9 t90 -56.85 -50.27 72.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.612 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CD1' HG23 ' A' ' 45' ' ' ILE . 19.2 m-85 -69.56 -42.77 74.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.345 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.97 -30.97 71.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.496 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -40.68 78.52 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HD2' ' CZ3' ' A' ' 48' ' ' TRP . 8.6 mttm -65.65 -29.67 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.36 -6.89 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.516 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.8 -29.88 70.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.849 0.356 . . . . 0.0 111.312 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -59.72 4.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.5 mt 67.88 107.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -103.92 -178.33 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.77 126.54 54.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.942 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.81 0.338 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.21 98.02 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 59.64 -177.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -122.86 106.45 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -175.45 177.62 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 71.1 m-80 -82.41 102.04 11.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.651 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -45.49 87.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.623 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.462 ' C ' ' HG2' ' A' ' 24' ' ' ARG . 5.8 m120 -152.59 66.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.481 0.658 . . . . 0.0 110.797 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.462 ' HG2' ' C ' ' A' ' 23' ' ' ASN . 1.4 mmm180 -145.59 -49.4 0.23 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.437 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.929 ' CE2' HD23 ' A' ' 26' ' ' LEU . 2.6 p90 -49.4 -52.2 30.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.353 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.929 HD23 ' CE2' ' A' ' 25' ' ' TYR . 1.2 pp -117.55 -29.69 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 111.236 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 28' ' ' GLU . 15.6 m -44.26 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.693 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' N ' HG22 ' A' ' 27' ' ' THR . 62.1 mt-10 -49.92 -35.76 25.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.177 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -66.85 -48.84 67.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.807 0.337 . . . . 0.0 111.5 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.38 -24.74 39.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.499 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HG2' HG21 ' A' ' 45' ' ' ILE . 5.1 tmm_? -61.28 -42.43 98.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 111.251 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -46.21 85.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.171 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -75.53 -39.71 57.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.525 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.502 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 16.1 mt -64.05 -40.72 96.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.763 0.316 . . . . 0.0 111.123 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.645 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -66.81 -50.67 61.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.698 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -68.52 -39.62 81.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.466 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -67.01 -49.4 65.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.458 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.467 HD13 HD21 ' A' ' 40' ' ' LEU . 3.0 mt -84.77 -15.57 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.357 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.71 32.03 70.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.291 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.6 OUTLIER -114.04 156.15 24.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 110.927 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -85.24 156.02 21.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.605 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -50.27 -29.78 10.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.07 0.462 . . . . 0.0 110.448 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' A' ' 46' ' ' LYS . . . -58.99 -33.1 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.944 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -82.33 -27.65 32.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.225 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.544 HG23 ' CD2' ' A' ' 49' ' ' PHE . 15.2 mm -65.72 -39.73 85.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.289 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 31.5 pttt -59.18 -47.88 83.68 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 109.91 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -69.15 -43.55 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 0.0 109.682 178.438 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 6.3 t90 -55.39 -50.37 69.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.274 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 15.7 m-85 -69.83 -42.76 73.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.015 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.46 -31.19 72.28 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 1.3 t-20 -80.52 -36.31 33.38 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -31.07 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.735 ' HA ' HD11 ' A' ' 56' ' ' ILE . 9.6 mtm180 -67.34 -26.02 66.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.041 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.14 -21.2 64.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.477 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.15 73.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 111.038 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.735 HD11 ' HA ' ' A' ' 53' ' ' ARG . 41.8 mt -130.78 82.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 108.94 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.77 179.2 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.335 -0.841 . . . . 0.0 110.932 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 78.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -131.9 163.01 29.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -122.3 86.77 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -147.92 -179.66 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.433 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 1.9 m-20 -78.75 100.34 7.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -53.03 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.019 0.438 . . . . 0.0 110.183 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.508 ' HB3' HG21 ' A' ' 27' ' ' THR . 3.5 m120 -146.68 81.82 1.57 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.117 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 90.4 mtt180 -161.37 -58.22 0.05 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.147 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.97 ' CE2' HD23 ' A' ' 26' ' ' LEU . 1.9 p90 -41.22 -51.09 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.017 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.97 HD23 ' CE2' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -118.42 -31.44 4.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 110.711 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.587 HG22 ' N ' ' A' ' 28' ' ' GLU . 17.8 m -48.26 -91.19 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.169 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.587 ' N ' HG22 ' A' ' 27' ' ' THR . 2.3 mt-10 -62.05 -33.93 75.3 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -49.04 74.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 111.262 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 3.9 ttm180 -80.3 -23.67 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -61.46 -43.08 99.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -71.71 -39.48 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -74.71 -33.21 62.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 12.7 mt -64.04 -40.8 97.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.1 t -61.65 -53.51 55.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.976 0.417 . . . . 0.0 110.607 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -68.49 -38.26 80.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.509 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.58 -53.43 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.657 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.2 mp -85.24 -11.72 54.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.37 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.41 32.23 71.65 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.562 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.704 HD22 ' CB ' ' A' ' 44' ' ' GLN . 7.0 mt -101.76 154.86 18.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 111.504 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -87.36 147.18 25.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.354 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -50.6 -32.65 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.125 0.488 . . . . 0.0 110.062 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.52 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.49 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.704 ' CB ' HD22 ' A' ' 40' ' ' LEU . 19.9 mm100 -77.41 -29.42 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.558 0.694 . . . . 0.0 109.498 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.541 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 1.0 OUTLIER -65.89 -39.09 83.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.134 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -55.72 -48.27 75.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.213 0.53 . . . . 0.0 109.644 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -40.52 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.548 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.541 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . 9.7 t90 -55.36 -49.97 70.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.724 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 19.8 m-85 -69.43 -42.59 74.79 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.295 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.44 -31.03 71.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.559 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -79.1 -35.52 42.15 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.809 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -29.34 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.008 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 ttt-85 -84.26 4.46 30.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.485 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.0 -58.96 2.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.219 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -31.1 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mt 64.76 100.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.34 169.89 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.77 169.46 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.899 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.853 0.359 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -87.53 106.51 18.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -98.45 117.87 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.49 96.83 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.786 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -141.97 -173.61 3.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.516 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 70.0 m-80 -102.32 120.04 39.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.812 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.69 -18.77 61.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.646 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -173.33 43.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.504 0.668 . . . . 0.0 111.009 -179.624 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.516 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 7.5 mmm180 -129.37 -45.2 1.23 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.81 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.535 ' CZ ' HD22 ' A' ' 26' ' ' LEU . 2.2 p90 -48.22 -47.68 35.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.549 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.755 HD23 ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -120.08 -17.21 8.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.053 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.755 ' N ' HD23 ' A' ' 26' ' ' LEU . 5.8 m -48.73 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.74 0.305 . . . . 0.0 111.301 -178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.547 ' N ' HG22 ' A' ' 27' ' ' THR . 32.5 mt-10 -61.69 -35.04 76.86 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -49.21 64.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.671 -179.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.726 ' HD2' HD12 ' A' ' 26' ' ' LEU . 6.1 ttt180 -80.34 -27.87 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.34 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.471 ' HG2' HG21 ' A' ' 45' ' ' ILE . 33.5 mtp180 -59.28 -40.46 86.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.21 -44.73 87.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.18 -38.22 60.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.05 -38.75 92.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.921 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.652 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -65.28 -52.77 52.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.648 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.0 m -68.27 -40.66 81.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.446 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -64.61 -47.4 78.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.238 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.577 HD13 HD21 ' A' ' 40' ' ' LEU . 80.4 mt -84.87 -17.09 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.233 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.36 29.57 69.99 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -112.81 159.52 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.947 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -87.05 155.98 19.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.423 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 70.1 mt-10 -49.7 -29.06 6.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.358 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.16 74.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.605 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -27.93 43.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.227 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.613 HG23 ' CD2' ' A' ' 49' ' ' PHE . 24.6 mm -65.52 -39.51 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.955 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -57.7 -49.77 75.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.163 0.506 . . . . 0.0 109.832 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.87 -43.2 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.981 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.561 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 7.8 t90 -55.92 -50.28 71.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.328 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.613 ' CD2' HG23 ' A' ' 45' ' ' ILE . 16.7 m-85 -69.52 -42.74 74.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.283 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -64.35 -31.16 72.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.368 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.35 -42.0 38.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.772 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.49 -29.46 64.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -66.92 -20.38 65.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.46 28.86 3.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.342 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.74 -68.38 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mt 60.86 98.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp 62.82 146.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.58 179.84 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.887 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.41 153.04 50.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.804 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -136.64 154.8 50.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.21 111.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -122.75 -175.78 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.693 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 5.6 m-20 -77.3 114.51 16.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.393 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -82.17 108.26 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.553 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.425 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 2.5 m-80 60.45 40.2 17.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.382 0.61 . . . . 0.0 111.319 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 52.0 mtt-85 -141.1 -47.46 0.4 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.575 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 2.6 p90 -45.97 -45.24 15.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.16 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.562 HD23 ' C ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -129.56 5.5 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.149 -178.231 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 28' ' ' GLU . 22.1 m -80.86 -88.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.636 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 27' ' ' THR . 2.7 mt-10 -61.96 -47.24 85.74 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -61.06 -47.23 87.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 111.38 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.857 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -80.11 -23.19 41.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.633 -179.506 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtp-105 -57.77 -40.67 80.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.914 0.388 . . . . 0.0 110.953 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -38.99 91.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.029 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.61 -35.23 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.857 HD12 ' O ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -64.13 -38.6 91.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.724 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.617 ' HA ' HD12 ' A' ' 40' ' ' LEU . 35.1 t -64.34 -53.31 50.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.753 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.2 t -68.17 -38.42 82.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.394 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.19 -48.63 72.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.389 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.656 HD22 HD21 ' A' ' 40' ' ' LEU . 2.9 mp -84.93 -20.61 30.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.309 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.91 28.64 66.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.656 HD21 HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -106.98 163.79 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.852 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.58 149.26 26.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.468 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 1.0 OUTLIER -52.29 -30.84 30.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.074 0.464 . . . . 0.0 110.412 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.97 70.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.779 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -78.42 -27.62 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.573 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.692 HG23 ' CD1' ' A' ' 49' ' ' PHE . 30.5 mm -65.39 -39.53 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.909 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -58.06 -51.04 71.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 109.676 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -69.07 -45.65 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.357 178.871 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 6.5 t90 -55.37 -50.32 70.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.262 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.692 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.1 m-85 -69.72 -42.79 73.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.914 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -62.04 -31.25 71.63 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.709 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -78.39 -38.2 42.25 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 0.0 110.748 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -34.97 72.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.815 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -122.89 101.8 7.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.72 27.81 2.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.9 -50.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mt 57.41 85.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.201 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.35 72.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -95.04 179.17 5.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.916 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.14 117.19 29.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.0 ttt-85 -176.28 -48.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -161.45 150.13 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.822 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -122.78 -176.6 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' HB3' ' CG ' ' A' ' 24' ' ' ARG . 10.1 m-80 -73.23 97.54 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.219 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.18 89.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.904 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 63.75 88.73 0.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.75 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -168.05 -61.3 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.267 -179.322 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.94 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 2.5 p90 -38.4 -47.45 1.25 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.791 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.94 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.55 -18.5 6.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.125 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.934 ' N ' HD13 ' A' ' 26' ' ' LEU . 22.1 m -58.21 -61.52 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.59 -46.64 89.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.455 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -44.17 97.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -25.59 42.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.321 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.545 ' HD3' HG22 ' A' ' 27' ' ' THR . 18.5 mtp180 -60.77 -42.55 97.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.078 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -66.7 -41.03 88.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.132 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -75.42 -40.6 57.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.472 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.597 HD11 ' CH2' ' A' ' 48' ' ' TRP . 8.8 mt -64.01 -40.58 96.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.808 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.2 p -63.9 -51.69 63.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.7 m -68.44 -42.52 78.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.745 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.85 -52.39 20.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.848 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.82 -14.49 47.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.512 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.53 30.47 71.03 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.992 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 40' ' ' LEU . 12.8 mt -101.74 152.62 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.004 0.431 . . . . 0.0 111.206 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -87.16 151.23 23.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.535 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.21 -33.04 39.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.042 0.449 . . . . 0.0 110.371 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.34 89.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.82 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -30.12 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.733 . . . . 0.0 109.4 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.524 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 0.9 OUTLIER -65.99 -38.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.96 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -54.17 -47.66 71.77 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.292 0.568 . . . . 0.0 109.654 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -40.34 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.586 178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.597 ' CH2' HD11 ' A' ' 34' ' ' LEU . 10.2 t90 -55.38 -50.27 70.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.534 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.575 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 23.8 m-85 -69.54 -44.19 71.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.167 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -64.09 -30.95 71.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.449 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -80.47 -40.08 26.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -41.15 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -125.64 102.15 7.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -126.03 27.75 6.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.55 -60.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mt 62.88 93.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -131.4 135.38 47.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 141.64 28.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.891 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.883 0.373 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.0 134.78 35.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -77.68 117.01 18.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.39 86.64 2.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -122.78 -175.83 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.82 113.46 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.686 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.16 116.32 21.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.283 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 m120 50.92 40.01 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.459 0.647 . . . . 0.0 111.566 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 mtm-85 -136.9 -47.41 0.6 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.276 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.776 ' CE2' HD23 ' A' ' 26' ' ' LEU . 2.3 p90 -46.81 -46.31 20.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.917 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.776 HD23 ' CE2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -120.56 -26.28 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.824 -178.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 28' ' ' GLU . 8.7 m -44.16 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.856 0.36 . . . . 0.0 111.919 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' N ' HG22 ' A' ' 27' ' ' THR . 4.6 mt-10 -57.06 -35.36 69.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.171 -179.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -65.94 -48.92 69.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.809 0.338 . . . . 0.0 111.476 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.598 ' HB2' HD12 ' A' ' 26' ' ' LEU . 5.0 mtt180 -80.31 -31.21 38.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.333 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -58.98 -39.12 80.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.122 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -70.75 -41.09 72.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -75.42 -37.89 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.328 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.14 -40.4 96.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 0.0 110.63 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 t -60.91 -53.37 58.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.561 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -68.75 -43.21 76.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.561 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.69 -50.68 41.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.741 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -13.98 49.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.262 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.32 31.7 71.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.771 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.675 HD22 ' CB ' ' A' ' 44' ' ' GLN . 6.5 mt -101.79 155.58 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.12 0.486 . . . . 0.0 111.509 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -87.26 145.11 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.189 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -49.8 -32.5 14.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.499 . . . . 0.0 110.139 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.5 89.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.586 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.675 ' CB ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -77.53 -29.58 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.512 0.672 . . . . 0.0 109.555 178.758 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.538 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 1.1 mm -65.89 -39.21 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.038 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -49.72 72.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.211 0.529 . . . . 0.0 109.73 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -68.8 -40.27 81.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.836 0.827 . . . . 0.0 109.569 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.538 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . 9.6 t90 -55.24 -49.99 70.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.3 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.534 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 18.4 m-85 -69.44 -42.63 74.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.138 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -64.35 -31.17 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.432 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -73.84 -31.62 63.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -70.45 -31.15 68.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -30.69 70.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.15 28.89 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -83.91 -67.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.3 mt 57.06 101.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -64.95 125.41 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.62 136.86 54.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.866 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.745 0.307 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.31 142.04 51.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -61.0 -30.57 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -145.79 166.8 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.009 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -58.94 -175.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.434 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -80.5 126.29 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.578 179.554 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.15 107.35 19.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.412 ' C ' ' HB ' ' A' ' 27' ' ' THR . 1.3 m-80 62.65 38.9 11.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.573 0.701 . . . . 0.0 110.772 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 2.3 mmm180 -139.85 -45.17 0.43 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.6 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.482 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 6.2 p90 -53.9 -48.03 70.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.091 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.888 HD23 ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -124.58 -41.37 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.298 -178.514 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.888 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.3 m -41.95 -62.0 1.01 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.837 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -53.62 -49.37 68.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -65.7 -48.19 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.324 . . . . 0.0 111.518 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.58 -23.67 59.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.558 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' THR . 6.0 mtm180 -60.68 -42.87 97.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.92 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -67.71 -37.91 82.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.34 -43.99 47.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -64.3 -39.89 94.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.637 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.504 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.2 t -61.17 -49.52 76.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.599 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 p -68.17 -38.49 82.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.2 -45.0 67.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.413 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.547 HD13 HD21 ' A' ' 40' ' ' LEU . 84.8 mt -84.89 -20.86 30.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.262 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.19 25.69 75.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.709 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.547 HD21 HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -107.06 163.68 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.077 0.465 . . . . 0.0 111.045 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -82.05 149.42 28.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.358 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 17.6 mt-10 -51.53 -28.97 15.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.115 0.483 . . . . 0.0 110.456 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.9 73.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -28.97 49.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.961 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.545 HG23 ' CD2' ' A' ' 49' ' ' PHE . 20.1 mm -65.51 -42.38 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.43 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -57.51 -45.87 84.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 47' ' ' ILE . 1.5 mm -68.67 -41.08 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.725 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.536 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 11.8 t90 -60.66 -50.5 73.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.85 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' CD2' HG23 ' A' ' 45' ' ' ILE . 23.0 m-85 -69.27 -42.58 75.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.264 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -66.15 -31.1 71.74 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.534 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -79.12 -42.51 26.09 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -29.4 70.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -91.96 17.4 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.425 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.61 26.9 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 111.371 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' C ' HD12 ' A' ' 56' ' ' ILE . 15.0 pttp -178.36 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 55' ' ' LYS . 3.4 mp 55.72 101.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.249 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -107.13 111.41 23.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.3 -58.96 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.907 -179.983 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.813 0.34 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.26 102.89 10.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.47 -74.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -142.9 110.95 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -70.55 178.23 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.478 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 2.3 m-20 -86.55 132.92 33.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.89 95.79 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.501 ' C ' ' HB ' ' A' ' 27' ' ' THR . 12.2 m120 61.15 38.62 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.574 0.702 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 17.5 mmt85 -129.26 -43.06 1.32 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.211 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.983 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 1.8 p90 -49.01 -48.93 43.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.209 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.997 HD13 ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -125.65 -26.44 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.997 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.2 m -61.71 -78.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.662 ' N ' HG22 ' A' ' 27' ' ' THR . 5.8 mt-10 -61.81 -33.55 74.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.785 -179.664 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -48.91 69.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.398 -179.153 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' HE ' HD23 ' A' ' 26' ' ' LEU . 20.6 mtt-85 -80.35 -29.36 37.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.158 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HG2' HG21 ' A' ' 45' ' ' ILE . 43.3 mtp180 -61.22 -41.57 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.06 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -46.09 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -75.36 -37.45 60.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.371 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.431 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 20.3 mt -64.24 -37.58 87.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.966 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.656 ' HA ' HD12 ' A' ' 40' ' ' LEU . 66.1 p -64.03 -53.48 49.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.941 0.4 . . . . 0.0 110.564 179.606 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 t -68.22 -38.42 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.323 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -65.15 -48.38 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.271 -179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -84.83 -20.16 31.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.232 -179.831 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.74 26.65 64.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.405 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -110.37 159.9 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.003 0.43 . . . . 0.0 110.899 179.874 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.658 ' OD1' ' HB3' ' A' ' 43' ' ' ALA . 4.7 p30 -87.04 156.35 19.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.497 179.575 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.8 mp0 -51.34 -29.49 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 110.952 -179.509 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.658 ' HB3' ' OD1' ' A' ' 41' ' ' ASN . . . -58.57 -34.56 71.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.705 179.616 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -28.12 38.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.143 177.841 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 49' ' ' PHE . 27.3 mm -65.4 -39.47 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -57.84 -49.92 75.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.19 0.519 . . . . 0.0 109.857 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.78 -42.11 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.925 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.3 t90 -57.04 -50.18 73.53 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.473 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.598 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.3 m-85 -69.53 -42.63 74.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.335 179.449 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -66.21 -31.13 71.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.534 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -70.09 -42.49 72.67 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -43.08 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.734 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -130.14 100.12 5.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -91.39 66.22 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.144 0.497 . . . . 0.0 111.176 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.79 41.52 21.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.964 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.3 mt 64.56 99.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm 60.93 179.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -111.89 -58.62 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.891 179.977 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.758 0.313 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -110.65 172.16 7.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -148.06 -62.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -127.06 146.59 50.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -141.34 -176.43 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.758 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.443 ' O ' ' CZ ' ' A' ' 25' ' ' TYR . 6.1 m-80 -82.95 92.11 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.66 107.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.055 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 5.1 m120 55.39 84.95 0.07 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.419 0.628 . . . . 0.0 109.608 -178.504 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.1 -72.38 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.584 -178.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -43.2 -91.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.56 178.738 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.509 HD23 ' C ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -54.18 -31.51 53.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.744 178.825 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.503 ' N ' HD23 ' A' ' 26' ' ' LEU . 44.6 m -52.95 -87.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.66 -179.179 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' N ' HG22 ' A' ' 27' ' ' THR . 4.7 mm-40 -49.74 -35.56 22.58 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.141 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -68.57 -48.88 63.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.746 0.308 . . . . 0.0 111.583 -179.269 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -80.36 -23.76 40.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.675 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.515 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -59.64 -41.86 91.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.176 -179.516 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -42.0 84.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.133 -179.773 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -75.53 -38.49 59.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.551 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 6.4 mt -64.12 -39.93 95.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.739 0.304 . . . . 0.0 111.099 -179.658 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.528 ' HA ' HD12 ' A' ' 40' ' ' LEU . 91.2 p -61.49 -51.14 69.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.662 179.663 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -38.4 81.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.679 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -49.22 69.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 111.371 -179.296 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.586 HD22 HD21 ' A' ' 40' ' ' LEU . 1.5 mp -84.99 -20.11 31.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.222 -179.628 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.04 29.62 68.72 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.228 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.586 HD21 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -106.86 162.21 14.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.914 0.388 . . . . 0.0 110.757 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.44 151.61 23.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.54 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -51.89 -29.19 18.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 110.467 179.694 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.79 71.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.606 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -79.82 -28.13 40.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.156 177.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.623 HG23 ' CD2' ' A' ' 49' ' ' PHE . 26.1 mm -65.61 -39.54 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -49.76 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.233 0.54 . . . . 0.0 109.897 179.342 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -68.71 -41.47 82.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.878 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.559 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 8.1 t90 -58.55 -50.8 72.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.436 -179.48 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 45' ' ' ILE . 18.4 m-85 -69.92 -43.07 72.41 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.246 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.583 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 2.0 tt0 -65.96 -30.95 71.6 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.616 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -75.97 -31.31 58.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.818 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HD3' ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -70.02 -42.68 72.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.64 15.06 20.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.277 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 50' ' ' GLN . . . -82.89 -31.17 27.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.152 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -108.75 -32.14 7.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.972 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.6 mt 64.04 97.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.81 112.05 13.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.798 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -151.24 135.93 17.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.794 0.331 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -85.05 99.33 10.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 155.16 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 6.9 tt0 -152.32 71.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.997 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 9.4 p90 45.94 -172.12 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.617 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.85 100.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.213 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.76 89.91 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.25 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 m120 61.96 73.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.421 0.629 . . . . 0.0 110.353 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -159.68 -63.23 0.07 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.589 -179.19 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -56.27 -17.65 8.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.247 -179.917 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -136.69 -38.38 0.65 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.983 0.421 . . . . 0.0 111.3 -177.916 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.622 HG22 ' N ' ' A' ' 28' ' ' GLU . 2.5 m -47.93 -84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.511 -179.235 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.622 ' N ' HG22 ' A' ' 27' ' ' THR . 12.2 mt-10 -62.06 -35.17 77.81 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.332 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -67.49 -49.02 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -23.73 40.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.455 -179.762 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -58.94 -39.66 82.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.745 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -46.92 76.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.252 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -75.32 -36.99 60.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.39 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.543 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 14.7 mt -64.13 -37.74 88.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.006 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -64.97 -53.74 41.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.7 179.815 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 p -68.66 -38.32 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.531 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -65.45 -45.5 83.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.773 -179.034 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.502 HD22 HD21 ' A' ' 40' ' ' LEU . 6.7 mp -84.88 -20.46 30.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.354 -179.492 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.47 17.31 79.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.854 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.502 HD21 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -101.85 161.48 13.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.635 179.71 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.67 153.22 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.636 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 3.5 mp0 -49.8 -29.18 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.107 0.48 . . . . 0.0 110.375 179.651 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.49 72.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.569 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -79.92 -27.87 39.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.163 177.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.585 HG23 ' CD1' ' A' ' 49' ' ' PHE . 24.5 mm -65.61 -39.36 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.763 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -50.8 71.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.32 0.581 . . . . 0.0 109.85 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -42.9 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.022 178.817 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.558 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.7 t90 -55.32 -50.16 70.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.316 -179.534 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CD1' HG23 ' A' ' 45' ' ' ILE . 17.9 m-85 -69.39 -42.48 75.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.06 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -31.11 71.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.563 179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.91 -36.71 56.44 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.744 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 10.6 tttp -72.33 -33.77 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.414 HH22 HD21 ' A' ' 26' ' ' LEU . 1.8 mmp_? -69.79 -28.76 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.38 -19.38 63.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.39 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.04 62.9 7.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.944 0.402 . . . . 0.0 111.013 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.2 mt -139.24 87.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 94.0 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -134.29 -55.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -166.16 140.98 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.23 -79.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.993 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -70.0 131.94 45.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.623 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -114.53 175.02 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.198 0.523 . . . . 0.0 111.359 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.09 32.29 4.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.935 179.117 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -101.49 -27.78 12.93 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.804 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 18.9 m120 -155.45 94.95 1.64 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.373 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 176.39 -71.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.295 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.938 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -36.38 -42.94 0.35 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.356 178.399 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.938 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -120.43 -18.13 7.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.422 -179.246 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.933 ' N ' HD13 ' A' ' 26' ' ' LEU . 5.5 m -53.64 -80.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.476 -179.295 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 27' ' ' THR . 2.5 mt-10 -56.4 -35.44 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.025 -179.243 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -63.98 -48.97 74.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.371 . . . . 0.0 110.936 -179.503 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -80.53 -23.37 40.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.288 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.646 ' HG2' HG21 ' A' ' 45' ' ' ILE . 3.8 mtp180 -58.06 -42.31 85.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -44.95 92.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.175 -179.685 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -75.62 -40.63 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.854 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.675 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 7.4 mt -64.02 -40.76 97.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.627 0.251 . . . . 0.0 111.457 -179.177 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.61 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.07 -46.5 87.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.897 0.379 . . . . 0.0 110.735 179.916 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.5 t -68.37 -45.9 71.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.755 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.07 -44.96 90.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.782 0.325 . . . . 0.0 111.457 -179.238 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.695 HD23 HD21 ' A' ' 40' ' ' LEU . 8.9 mp -84.95 -18.48 34.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.339 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.73 30.2 70.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.24 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.695 HD21 HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -113.29 158.51 20.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -86.84 155.9 20.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.531 179.635 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.4 mt-10 -50.49 -29.17 9.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.118 0.485 . . . . 0.0 110.51 179.676 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.81 73.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.676 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -79.56 -28.05 41.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.204 177.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.735 HG23 ' CD1' ' A' ' 49' ' ' PHE . 23.4 mm -65.71 -39.41 84.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.679 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -58.23 -50.08 74.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.189 0.519 . . . . 0.0 109.996 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -68.87 -43.77 82.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.054 178.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.592 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.2 t90 -58.12 -50.37 73.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.422 -179.603 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.735 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.2 m-85 -69.5 -42.73 74.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.265 179.402 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -31.19 72.27 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.294 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -72.91 -33.85 66.26 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -70.07 -44.48 69.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.41 100.75 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.781 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.55 -65.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -138.93 82.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.5 mt -133.95 83.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.2 tttm 60.67 157.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -78.3 112.74 15.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.953 -179.946 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.903 0.382 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -135.72 142.93 45.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.802 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mtm-85 -144.56 153.59 41.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.86 173.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 5.0 p90 -170.23 170.02 7.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.34 33.76 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.511 0.672 . . . . 0.0 110.503 179.644 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.456 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 5.2 pt-20 -128.88 4.74 5.41 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.458 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.468 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 3.2 m120 -148.82 34.04 0.76 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.458 0.647 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -146.21 -62.41 0.31 Allowed 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.404 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -51.04 -19.52 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.861 179.539 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.714 HD23 ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -135.33 -28.79 1.12 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.676 -178.049 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.714 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.4 m -47.96 -79.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.728 0.299 . . . . 0.0 111.791 -178.79 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.635 ' N ' HG22 ' A' ' 27' ' ' THR . 38.0 mt-10 -57.93 -40.43 80.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.852 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -63.91 -48.49 76.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.971 0.415 . . . . 0.0 111.187 -179.33 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -79.8 -23.58 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.523 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.492 ' HG2' HG21 ' A' ' 45' ' ' ILE . 1.6 mtm180 -60.26 -41.93 94.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.076 -179.54 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -63.5 -44.6 93.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.485 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -75.41 -40.4 57.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.559 -179.518 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.556 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 11.0 mt -64.16 -40.67 96.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.087 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.614 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -66.77 -49.91 64.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.71 179.81 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.28 -41.43 81.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.302 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.5 -46.59 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.452 -179.428 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 34' ' ' LEU . 3.1 mt -84.82 -18.86 33.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.307 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.44 30.83 63.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.235 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -114.47 158.77 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.931 0.396 . . . . 0.0 110.891 179.906 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -86.08 155.85 20.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.654 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 19.3 mp0 -52.36 -29.31 23.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.46 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.05 73.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.615 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -79.15 -27.82 42.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.224 177.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.597 HG23 ' CD2' ' A' ' 49' ' ' PHE . 20.8 mm -65.49 -39.36 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -57.51 -50.77 71.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.197 0.522 . . . . 0.0 109.852 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.88 -43.06 82.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.99 178.852 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 6.8 t90 -55.31 -50.26 70.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.118 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.597 ' CD2' HG23 ' A' ' 45' ' ' ILE . 16.0 m-85 -69.62 -42.61 74.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.772 179.093 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -31.2 70.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.461 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.27 -37.61 66.24 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -69.49 -39.11 77.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' O ' HD11 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -59.47 -30.2 68.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 -179.924 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.05 34.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -62.27 -73.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.416 HD11 ' O ' ' A' ' 53' ' ' ARG . 27.3 mt 58.56 102.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.183 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.6 179.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt 62.1 97.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.894 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.749 0.309 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.39 -26.01 38.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.435 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -63.68 -43.49 96.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.238 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.64 -37.34 70.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.63 -38.97 58.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.998 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.759 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 13.4 mt -64.13 -37.08 86.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.747 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.639 ' HA ' HD12 ' A' ' 40' ' ' LEU . 87.7 p -61.2 -53.51 55.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.9 p -68.36 -38.51 81.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.209 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.26 -48.34 68.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.585 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 40' ' ' LEU . 7.4 mp -84.88 -20.49 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.3 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.8 27.78 66.29 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.429 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -108.37 163.42 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.695 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.54 152.05 22.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.755 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 61.0 mt-10 -52.51 -29.11 23.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.98 71.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.64 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -79.94 -27.95 39.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.223 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.681 HG23 ' CD1' ' A' ' 49' ' ' PHE . 20.4 mm -65.57 -39.56 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.79 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -50.44 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.182 0.515 . . . . 0.0 109.844 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -43.02 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.016 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 6.7 t90 -58.14 -50.46 73.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.403 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.759 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 18.0 m-85 -69.71 -42.76 73.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.369 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.77 -31.07 71.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.47 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -74.58 -33.25 62.63 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.099 0 CA-C-O 120.613 0.244 . . . . 0.0 111.592 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -30.46 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.447 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -62.74 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.244 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.27 -43.24 91.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -40.68 57.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.374 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.694 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 14.6 mt -64.14 -37.43 87.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.97 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.549 ' HA ' HD12 ' A' ' 40' ' ' LEU . 44.9 t -60.58 -49.6 76.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -38.41 81.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -49.0 67.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.424 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.68 HD22 HD21 ' A' ' 40' ' ' LEU . 3.4 mp -84.99 -20.58 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.327 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.56 30.34 66.68 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.68 HD21 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.85 163.64 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.421 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -83.48 148.89 26.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.709 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 3.3 mm-40 -52.61 -29.19 24.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.126 0.489 . . . . 0.0 110.544 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.2 70.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.723 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -80.85 -27.75 36.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.203 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' A' ' 49' ' ' PHE . 21.5 mm -65.6 -39.34 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.942 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -57.54 -49.59 75.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.287 0.565 . . . . 0.0 109.983 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -42.48 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.901 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.1 t90 -56.6 -50.18 72.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.524 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.694 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 17.5 m-85 -69.54 -42.77 74.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.298 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -63.05 -31.25 72.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.235 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -80.53 -31.2 37.1 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 120.883 0.373 . . . . 0.0 110.683 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.76 0.315 . . . . 0.0 111.418 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -25.48 39.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.512 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HG2' HG21 ' A' ' 45' ' ' ILE . 42.7 mtp180 -61.43 -42.27 98.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 0.0 111.232 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -67.44 -44.7 78.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -75.5 -36.84 60.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.744 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.698 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 13.2 mt -64.13 -40.55 96.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.142 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.509 ' HA ' HD12 ' A' ' 40' ' ' LEU . 86.5 p -58.13 -49.49 76.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.681 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -68.38 -39.73 81.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.656 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -48.53 69.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.502 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.558 HD22 HD21 ' A' ' 40' ' ' LEU . 2.0 mp -84.87 -20.4 30.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.294 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.87 27.41 70.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD21 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -110.14 163.58 13.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.717 ' ND2' ' HB3' ' A' ' 43' ' ' ALA . 1.1 p-10 -86.2 156.25 20.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.628 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.0 mt-10 -55.27 -30.15 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.134 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.717 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . . . -58.46 -34.43 70.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.085 0.469 . . . . 0.0 109.782 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -80.31 -28.09 38.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.129 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.512 HG23 ' CD1' ' A' ' 49' ' ' PHE . 17.1 mm -65.6 -39.46 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.988 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -49.17 76.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.208 0.528 . . . . 0.0 109.78 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.4 mp -68.73 -40.24 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.82 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.559 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 9.4 t90 -58.09 -50.27 74.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.797 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.698 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 20.3 m-85 -69.58 -42.84 73.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.468 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.37 -30.91 69.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ILE . 23.1 t-20 -75.9 -35.44 59.82 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.758 0.313 . . . . 0.0 111.221 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 2.0 tttm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.976 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.847 0.356 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HG2' HD12 ' A' ' 34' ' ' LEU . 24.3 ttt180 -80.08 -22.92 41.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.683 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.592 ' HG2' HG21 ' A' ' 45' ' ' ILE . 6.6 mtp180 -57.53 -39.74 77.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 111.083 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -46.15 87.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.999 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -75.62 -42.11 52.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.647 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD12 ' HG2' ' A' ' 30' ' ' ARG . 6.3 mt -63.83 -40.57 96.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 0.0 110.986 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.598 ' HA ' HD12 ' A' ' 40' ' ' LEU . 47.4 t -64.7 -50.59 66.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.572 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.0 m -68.34 -41.06 81.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.706 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' OE1' HD12 ' A' ' 38' ' ' LEU . 1.3 tm-20 -64.78 -46.57 81.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.466 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 40' ' ' LEU . 11.2 mp -84.98 -16.39 41.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.373 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.33 29.67 69.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.135 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -113.34 157.86 21.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.77 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.04 155.86 19.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.517 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.434 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.1 mt-10 -51.34 -29.22 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.116 0.484 . . . . 0.0 110.514 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.81 73.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.631 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -79.2 -27.86 42.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.256 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.637 HG23 ' CD1' ' A' ' 49' ' ' PHE . 23.5 mm -65.61 -39.42 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.813 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -57.97 -49.68 75.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.244 0.545 . . . . 0.0 109.823 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.75 -41.66 82.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.862 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.567 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.6 t90 -58.47 -50.46 73.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.527 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.637 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.4 m-85 -69.56 -42.74 74.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.555 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -68.11 -30.97 70.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.698 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -74.4 -28.98 61.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.041 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 4.4 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.0 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -79.84 -23.5 41.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.46 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' CG ' HG21 ' A' ' 45' ' ' ILE . 3.5 mtp180 -60.14 -41.29 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 111.269 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.45 -45.83 89.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.965 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.58 -42.91 50.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.565 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.594 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 11.9 mt -64.17 -40.67 96.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 111.014 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.618 ' HA ' HD12 ' A' ' 40' ' ' LEU . 9.1 t -65.53 -49.78 67.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.615 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -68.36 -43.81 76.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.721 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.32 -45.94 85.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.449 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.503 HD13 HD21 ' A' ' 40' ' ' LEU . 6.9 mt -84.93 -20.31 30.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.216 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.63 27.19 71.51 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -109.68 161.5 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.756 ' ND2' ' HB3' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -86.96 156.34 19.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.648 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 64.4 mt-10 -53.94 -29.78 43.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.756 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . . . -58.55 -34.19 70.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.743 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -80.27 -28.08 38.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.277 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.587 HG23 ' CD1' ' A' ' 49' ' ' PHE . 20.3 mm -65.59 -39.44 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -57.56 -49.34 76.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.243 0.544 . . . . 0.0 109.943 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -41.44 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.814 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.587 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.5 t90 -58.35 -50.69 72.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.371 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.594 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 18.4 m-85 -69.87 -44.21 70.28 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.056 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.11 -31.11 72.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.455 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -73.8 -35.87 64.95 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 1.6 mttm . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.021 0.439 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.6 mtt180 -80.22 -23.63 40.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.434 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -61.65 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -64.26 -45.63 87.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -75.61 -38.56 58.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.656 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.697 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 12.2 mt -64.17 -37.53 87.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 111.017 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.418 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -62.29 -53.63 52.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.506 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -38.42 80.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.495 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.1 -48.53 70.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.379 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.424 HD13 HD21 ' A' ' 40' ' ' LEU . 5.4 mt -84.8 -20.48 30.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.244 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.46 22.2 79.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.789 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.431 HD12 ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -104.63 159.93 15.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.749 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.22 154.0 24.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.66 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.8 mm-40 -52.21 -29.51 22.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.073 0.463 . . . . 0.0 110.599 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.5 73.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.517 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -79.52 -27.76 41.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.203 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.626 HG23 ' CD1' ' A' ' 49' ' ' PHE . 24.5 mm -65.51 -39.6 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -49.58 76.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.204 0.526 . . . . 0.0 109.952 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -42.31 82.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.876 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.571 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.0 t90 -57.77 -50.3 73.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.426 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.697 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 17.8 m-85 -69.64 -42.79 73.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.458 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -65.85 -31.09 71.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.433 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.81 -38.79 80.13 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.724 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.739 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.817 0.342 . . . . 0.0 111.463 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.578 ' O ' HD12 ' A' ' 34' ' ' LEU . 1.2 ttt180 -80.14 -23.32 41.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.309 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -57.98 -40.3 80.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.966 0.412 . . . . 0.0 111.021 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -40.06 75.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.18 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.59 -39.06 58.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.423 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -64.35 -39.58 94.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.119 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.59 ' HA ' HD12 ' A' ' 40' ' ' LEU . 90.5 p -60.93 -48.85 79.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 t -68.28 -43.65 77.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.531 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.86 83.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.494 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' CD1' HD23 ' A' ' 34' ' ' LEU . 3.5 mt -84.86 -20.44 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.306 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.52 29.7 67.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -113.44 163.34 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.02 155.44 20.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.7 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 28.0 mt-10 -53.78 -29.51 40.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.064 0.459 . . . . 0.0 110.592 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.79 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.245 0.545 . . . . 0.0 109.694 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -78.2 -27.74 47.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.362 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.529 HD11 ' CD1' ' A' ' 40' ' ' LEU . 14.9 mm -65.56 -39.47 85.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.102 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -57.29 -49.48 75.96 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.246 0.546 . . . . 0.0 109.93 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.82 -40.5 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.843 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.555 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 9.2 t90 -57.19 -50.44 72.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.652 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.57 ' HZ ' HD13 ' A' ' 34' ' ' LEU . 20.0 m-85 -69.59 -42.68 74.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.44 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -66.63 -31.01 71.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -78.48 -41.31 32.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.785 0.326 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.1 ttm-85 -80.09 -23.82 41.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.284 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.45 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 111.095 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -63.64 -43.59 96.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -42.25 55.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.277 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.424 HD22 ' CZ2' ' A' ' 48' ' ' TRP . 17.9 mt -64.21 -37.35 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.54 ' HA ' HD12 ' A' ' 40' ' ' LEU . 83.5 p -67.72 -52.0 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.697 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 p -68.24 -41.56 80.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.52 -46.29 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.439 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.526 HD13 HD21 ' A' ' 40' ' ' LEU . 10.7 mt -84.79 -20.63 30.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.99 24.95 75.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.708 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -107.73 163.66 12.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.971 0.415 . . . . 0.0 110.854 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.05 155.69 20.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.403 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 16.2 mt-10 -52.51 -29.37 24.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.079 0.466 . . . . 0.0 110.58 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.9 73.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.602 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -28.24 44.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.301 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.513 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 21.0 mm -65.55 -39.38 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.025 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -49.21 75.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.249 0.547 . . . . 0.0 109.681 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -39.86 80.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.63 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.521 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 10.6 t90 -56.12 -50.25 71.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.698 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 21.3 m-85 -69.4 -42.71 74.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.507 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -67.38 -30.95 70.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.565 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -42.55 90.47 Favored 'General case' 0 C--N 1.334 -0.065 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.019 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.806 0.336 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.409 ' HB3' HD12 ' A' ' 34' ' ' LEU . 1.4 mtm180 -80.09 -23.49 41.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.335 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -58.2 -40.99 83.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 111.086 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -42.06 76.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.055 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -75.65 -39.08 58.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.791 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 30' ' ' ARG . 5.5 mt -65.39 -40.69 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.128 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.559 ' HA ' HD12 ' A' ' 40' ' ' LEU . 60.1 p -62.48 -48.57 79.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.641 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -38.44 81.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.706 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.48 -51.1 55.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.583 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.585 HD22 HD21 ' A' ' 40' ' ' LEU . 7.5 mp -84.79 -20.14 31.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.363 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.97 28.47 68.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.53 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD21 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -107.89 162.49 13.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.776 ' ND2' ' HB3' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -85.31 156.32 20.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.487 179.706 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.09 -29.79 32.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.06 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.776 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . . . -58.55 -34.49 71.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.84 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -28.53 39.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.247 177.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.513 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 10.4 mm -65.62 -39.47 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.017 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -49.31 75.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.165 0.507 . . . . 0.0 109.879 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.76 -41.32 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.846 0.831 . . . . 0.0 109.615 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.9 t90 -55.39 -50.33 70.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.31 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 19.0 m-85 -69.7 -42.79 73.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -31.19 72.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.535 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.6 -41.77 65.24 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.802 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.912 0.387 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.85 -23.23 42.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.373 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -58.17 -43.43 87.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 111.022 -179.546 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -64.41 -41.75 96.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.038 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 14.3 mt-30 -75.66 -43.95 44.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.574 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD2' ' CZ2' ' A' ' 48' ' ' TRP . 3.3 mt -64.12 -40.62 96.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 111.238 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.569 ' HA ' HD12 ' A' ' 40' ' ' LEU . 42.1 t -65.23 -45.12 85.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.771 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -68.4 -46.66 69.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.83 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -64.51 -45.67 86.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.567 -179.068 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.652 HD13 HD21 ' A' ' 40' ' ' LEU . 11.0 mt -84.86 -20.74 30.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.418 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.59 29.2 71.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.322 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.652 HD21 HD13 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -108.76 162.64 13.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 0.0 110.837 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.97 155.79 20.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.725 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.3 mp0 -53.26 -29.53 33.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.82 -36.72 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.181 0.515 . . . . 0.0 109.631 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.49 -27.87 46.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.274 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.512 HD11 ' CD1' ' A' ' 40' ' ' LEU . 19.2 mm -65.63 -39.43 84.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.031 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -56.68 -48.86 76.7 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.181 0.515 . . . . 0.0 109.815 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.72 -40.06 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.695 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 10.0 t90 -57.5 -50.4 73.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.648 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.554 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 20.6 m-85 -69.59 -42.79 73.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.422 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -66.55 -31.14 71.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.419 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -74.36 -40.06 62.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 tttm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.12 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -27.5 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.579 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.563 ' HG3' HG21 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -59.77 -41.47 91.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 -179.546 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -37.89 68.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -34.76 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.345 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.464 HD11 ' CH2' ' A' ' 48' ' ' TRP . 0.4 OUTLIER -63.9 -40.38 96.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.923 -179.733 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.615 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -59.66 -53.49 57.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.753 179.749 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 p -68.38 -38.44 81.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.567 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.09 -48.94 64.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.623 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 40' ' ' LEU . 9.2 mp -84.85 -19.99 31.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.23 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.22 28.79 67.48 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.431 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -107.24 163.32 13.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 110.783 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.06 154.19 20.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.459 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 79.3 mm-40 -51.17 -28.98 12.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.138 0.494 . . . . 0.0 110.389 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.57 -35.6 72.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.713 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -28.46 41.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.146 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 49' ' ' PHE . 25.9 mm -65.67 -39.4 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -49.97 75.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.191 0.519 . . . . 0.0 109.924 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.99 -42.62 82.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.111 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.574 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.1 t90 -59.11 -50.31 74.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.682 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.702 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.2 m-85 -69.6 -42.64 74.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.253 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -31.02 72.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.445 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.59 -37.58 79.94 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.889 0.376 . . . . 0.0 110.828 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.055 -179.837 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.798 0.332 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -23.35 58.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.626 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HG2' HG21 ' A' ' 45' ' ' ILE . 6.1 mtp180 -58.25 -42.44 86.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.958 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -40.93 87.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.983 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -75.54 -43.23 49.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.565 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.22 -39.75 94.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 110.757 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.533 ' HA ' HD12 ' A' ' 40' ' ' LEU . 90.8 p -64.42 -51.71 61.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -38.91 82.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.412 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -67.53 -48.34 67.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.579 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' CD2' HD21 ' A' ' 40' ' ' LEU . 7.9 mp -84.85 -20.55 30.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.319 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.3 28.31 70.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.511 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -106.8 163.72 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.787 179.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.55 150.97 24.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.61 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.4 mt-10 -52.88 -29.29 27.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.098 0.475 . . . . 0.0 110.571 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.91 71.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.64 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -79.93 -27.85 39.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.227 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.56 HD11 ' CD1' ' A' ' 40' ' ' LEU . 18.5 mm -65.58 -39.41 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.009 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -57.03 -49.18 76.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.33 0.586 . . . . 0.0 109.828 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.81 -40.78 81.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.658 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 9.5 t90 -57.02 -50.34 73.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.643 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 19.2 m-85 -69.67 -42.76 73.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.419 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -66.82 -31.04 71.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.579 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.95 -37.85 58.19 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.892 0.377 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -80.15 -23.53 41.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.866 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.493 ' HG2' HG21 ' A' ' 45' ' ' ILE . 3.8 tmm_? -58.04 -37.45 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -42.7 73.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -75.42 -38.73 59.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.25 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.11 -39.61 94.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 110.922 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.523 ' HA ' HD12 ' A' ' 40' ' ' LEU . 2.8 t -65.86 -51.88 55.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -40.26 82.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.596 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -46.73 77.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.424 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.503 HD13 HD21 ' A' ' 40' ' ' LEU . 3.8 mt -84.87 -20.6 30.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.313 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.04 27.9 71.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.41 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -106.09 163.59 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.956 0.408 . . . . 0.0 110.802 179.74 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.53 151.41 23.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.589 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.438 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 1.1 tt0 -52.84 -29.14 26.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.108 0.48 . . . . 0.0 110.547 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.77 71.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.636 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -80.03 -27.88 39.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.198 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 49' ' ' PHE . 23.0 mm -65.55 -39.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -49.14 76.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.253 0.549 . . . . 0.0 109.901 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -41.62 82.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.832 178.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.549 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.9 t90 -56.85 -50.27 72.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.612 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CD1' HG23 ' A' ' 45' ' ' ILE . 19.2 m-85 -69.56 -42.77 74.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.345 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.97 -30.97 71.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.496 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -40.68 78.52 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HD2' ' CZ3' ' A' ' 48' ' ' TRP . 8.6 mttm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.807 0.337 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.38 -24.74 39.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.499 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HG2' HG21 ' A' ' 45' ' ' ILE . 5.1 tmm_? -61.28 -42.43 98.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 111.251 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -46.21 85.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.171 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -75.53 -39.71 57.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.525 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.502 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 16.1 mt -64.05 -40.72 96.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.763 0.316 . . . . 0.0 111.123 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.645 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -66.81 -50.67 61.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.698 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -68.52 -39.62 81.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.466 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -67.01 -49.4 65.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.458 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.467 HD13 HD21 ' A' ' 40' ' ' LEU . 3.0 mt -84.77 -15.57 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.357 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.71 32.03 70.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.291 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.6 OUTLIER -114.04 156.15 24.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 110.927 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.24 156.02 21.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.605 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -50.27 -29.78 10.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.07 0.462 . . . . 0.0 110.448 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' A' ' 46' ' ' LYS . . . -58.99 -33.1 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.944 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -82.33 -27.65 32.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.225 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.544 HG23 ' CD2' ' A' ' 49' ' ' PHE . 15.2 mm -65.72 -39.73 85.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.289 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 31.5 pttt -59.18 -47.88 83.68 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 109.91 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -69.15 -43.55 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 0.0 109.682 178.438 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 6.3 t90 -55.39 -50.37 69.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.274 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 15.7 m-85 -69.83 -42.76 73.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.015 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.46 -31.19 72.28 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 1.3 t-20 -80.52 -36.31 33.38 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.795 0.331 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -80.3 -23.67 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -61.46 -43.08 99.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -71.71 -39.48 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -74.71 -33.21 62.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 12.7 mt -64.04 -40.8 97.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.1 t -61.65 -53.51 55.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.976 0.417 . . . . 0.0 110.607 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -68.49 -38.26 80.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.509 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.58 -53.43 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.657 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.2 mp -85.24 -11.72 54.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.37 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.41 32.23 71.65 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.562 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.704 HD22 ' CB ' ' A' ' 44' ' ' GLN . 7.0 mt -101.76 154.86 18.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 111.504 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -87.36 147.18 25.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.354 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -50.6 -32.65 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.125 0.488 . . . . 0.0 110.062 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.52 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.49 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.704 ' CB ' HD22 ' A' ' 40' ' ' LEU . 19.9 mm100 -77.41 -29.42 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.558 0.694 . . . . 0.0 109.498 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.541 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 1.0 OUTLIER -65.89 -39.09 83.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.134 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -55.72 -48.27 75.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.213 0.53 . . . . 0.0 109.644 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -40.52 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.548 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.541 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . 9.7 t90 -55.36 -49.97 70.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.724 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 19.8 m-85 -69.43 -42.59 74.79 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.295 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.44 -31.03 71.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.559 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -79.1 -35.52 42.15 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.809 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 0.0 111.671 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -80.34 -27.87 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.34 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.471 ' HG2' HG21 ' A' ' 45' ' ' ILE . 33.5 mtp180 -59.28 -40.46 86.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.21 -44.73 87.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.18 -38.22 60.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.05 -38.75 92.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.921 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.652 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -65.28 -52.77 52.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.648 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.0 m -68.27 -40.66 81.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.446 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -64.61 -47.4 78.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.238 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.577 HD13 HD21 ' A' ' 40' ' ' LEU . 80.4 mt -84.87 -17.09 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.233 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.36 29.57 69.99 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -112.81 159.52 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.947 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.05 155.98 19.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.423 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 70.1 mt-10 -49.7 -29.06 6.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.358 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.16 74.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.605 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -27.93 43.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.227 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.613 HG23 ' CD2' ' A' ' 49' ' ' PHE . 24.6 mm -65.52 -39.51 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.955 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -57.7 -49.77 75.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.163 0.506 . . . . 0.0 109.832 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.87 -43.2 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.981 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.561 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 7.8 t90 -55.92 -50.28 71.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.328 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.613 ' CD2' HG23 ' A' ' 45' ' ' ILE . 16.7 m-85 -69.52 -42.74 74.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.283 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -64.35 -31.16 72.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.368 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.35 -42.0 38.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.772 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.856 0.36 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.857 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -80.11 -23.19 41.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.633 -179.506 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtp-105 -57.77 -40.67 80.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.914 0.388 . . . . 0.0 110.953 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -38.99 91.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.029 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.61 -35.23 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.857 HD12 ' O ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -64.13 -38.6 91.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.724 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.617 ' HA ' HD12 ' A' ' 40' ' ' LEU . 35.1 t -64.34 -53.31 50.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.753 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.2 t -68.17 -38.42 82.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.394 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.19 -48.63 72.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.389 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.656 HD22 HD21 ' A' ' 40' ' ' LEU . 2.9 mp -84.93 -20.61 30.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.309 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.91 28.64 66.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.656 HD21 HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -106.98 163.79 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.852 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.58 149.26 26.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.468 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 1.0 OUTLIER -52.29 -30.84 30.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.074 0.464 . . . . 0.0 110.412 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.97 70.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.779 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -78.42 -27.62 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.573 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.692 HG23 ' CD1' ' A' ' 49' ' ' PHE . 30.5 mm -65.39 -39.53 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.909 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -58.06 -51.04 71.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 109.676 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -69.07 -45.65 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.357 178.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 6.5 t90 -55.37 -50.32 70.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.262 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.692 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.1 m-85 -69.72 -42.79 73.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.914 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -62.04 -31.25 71.63 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.709 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -78.39 -38.2 42.25 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 0.0 110.748 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.824 0.345 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -25.59 42.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.321 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -60.77 -42.55 97.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.078 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -66.7 -41.03 88.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.132 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -75.42 -40.6 57.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.472 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.597 HD11 ' CH2' ' A' ' 48' ' ' TRP . 8.8 mt -64.01 -40.58 96.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.808 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.2 p -63.9 -51.69 63.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.7 m -68.44 -42.52 78.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.745 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.85 -52.39 20.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.848 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.82 -14.49 47.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.512 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.53 30.47 71.03 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.992 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 40' ' ' LEU . 12.8 mt -101.74 152.62 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.004 0.431 . . . . 0.0 111.206 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.483 HD22 ' HB3' ' A' ' 43' ' ' ALA . 50.1 t30 -87.16 151.23 23.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.535 178.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.21 -33.04 39.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.042 0.449 . . . . 0.0 110.371 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.483 ' HB3' HD22 ' A' ' 41' ' ' ASN . . . -62.67 -38.34 89.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.82 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -30.12 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.733 . . . . 0.0 109.4 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.524 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 0.9 OUTLIER -65.99 -38.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.96 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -54.17 -47.66 71.77 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.292 0.568 . . . . 0.0 109.654 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -40.34 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.586 178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.597 ' CH2' HD11 ' A' ' 34' ' ' LEU . 10.2 t90 -55.38 -50.27 70.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.534 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.575 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 23.8 m-85 -69.54 -44.19 71.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.167 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -64.09 -30.95 71.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.449 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -80.47 -40.08 26.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.809 0.338 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -80.31 -31.21 38.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.333 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -58.98 -39.12 80.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.122 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -70.75 -41.09 72.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -75.42 -37.89 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.328 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.14 -40.4 96.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 0.0 110.63 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 t -60.91 -53.37 58.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.561 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -68.75 -43.21 76.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.561 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.69 -50.68 41.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.741 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -13.98 49.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.262 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.32 31.7 71.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.771 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.675 HD22 ' CB ' ' A' ' 44' ' ' GLN . 6.5 mt -101.79 155.58 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.12 0.486 . . . . 0.0 111.509 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.26 145.11 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.189 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -49.8 -32.5 14.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.499 . . . . 0.0 110.139 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.5 89.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.586 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.675 ' CB ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -77.53 -29.58 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.512 0.672 . . . . 0.0 109.555 178.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.538 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 1.1 mm -65.89 -39.21 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.038 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -49.72 72.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.211 0.529 . . . . 0.0 109.73 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -68.8 -40.27 81.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.836 0.827 . . . . 0.0 109.569 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.538 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . 9.6 t90 -55.24 -49.99 70.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.3 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.534 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 18.4 m-85 -69.44 -42.63 74.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.138 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -64.35 -31.17 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.432 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -73.84 -31.62 63.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 0.0 111.518 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.58 -23.67 59.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.558 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' HG2' HG21 ' A' ' 45' ' ' ILE . 6.0 mtm180 -60.68 -42.87 97.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.92 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -67.71 -37.91 82.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.34 -43.99 47.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -64.3 -39.89 94.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.637 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.504 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.2 t -61.17 -49.52 76.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.599 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 p -68.17 -38.49 82.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.2 -45.0 67.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.413 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.547 HD13 HD21 ' A' ' 40' ' ' LEU . 84.8 mt -84.89 -20.86 30.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.262 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.19 25.69 75.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.709 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.547 HD21 HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -107.06 163.68 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.077 0.465 . . . . 0.0 111.045 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -82.05 149.42 28.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.358 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 17.6 mt-10 -51.53 -28.97 15.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.115 0.483 . . . . 0.0 110.456 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.9 73.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -28.97 49.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.961 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.545 HG23 ' CD2' ' A' ' 49' ' ' PHE . 20.1 mm -65.51 -42.38 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.43 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -57.51 -45.87 84.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 47' ' ' ILE . 1.5 mm -68.67 -41.08 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.725 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.536 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 11.8 t90 -60.66 -50.5 73.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.85 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' CD2' HG23 ' A' ' 45' ' ' ILE . 23.0 m-85 -69.27 -42.58 75.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.264 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -66.15 -31.1 71.74 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.534 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -79.12 -42.51 26.09 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.699 0.285 . . . . 0.0 111.398 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -80.35 -29.36 37.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HG2' HG21 ' A' ' 45' ' ' ILE . 43.3 mtp180 -61.22 -41.57 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.06 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -46.09 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -75.36 -37.45 60.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.371 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.431 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 20.3 mt -64.24 -37.58 87.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.966 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.656 ' HA ' HD12 ' A' ' 40' ' ' LEU . 66.1 p -64.03 -53.48 49.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.941 0.4 . . . . 0.0 110.564 179.606 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 t -68.22 -38.42 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.323 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -65.15 -48.38 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.271 -179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -84.83 -20.16 31.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.232 -179.831 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.74 26.65 64.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.405 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -110.37 159.9 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.003 0.43 . . . . 0.0 110.899 179.874 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.808 ' ND2' ' HB3' ' A' ' 43' ' ' ALA . 0.7 OUTLIER -87.04 156.35 19.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.497 179.575 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.8 mp0 -51.34 -29.49 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 110.952 -179.509 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.808 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . . . -58.57 -34.56 71.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.705 179.616 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -28.12 38.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.143 177.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 49' ' ' PHE . 27.3 mm -65.4 -39.47 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -57.84 -49.92 75.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.19 0.519 . . . . 0.0 109.857 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.78 -42.11 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.925 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.3 t90 -57.04 -50.18 73.53 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.473 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.598 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.3 m-85 -69.53 -42.63 74.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.335 179.449 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -66.21 -31.13 71.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.534 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -70.09 -42.49 72.67 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.734 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 . . . . . 0 CA--C 1.527 0.086 0 CA-C-O 120.746 0.308 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -80.36 -23.76 40.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.675 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.515 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -59.64 -41.86 91.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.176 -179.516 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -42.0 84.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.133 -179.773 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -75.53 -38.49 59.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.551 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 6.4 mt -64.12 -39.93 95.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.739 0.304 . . . . 0.0 111.099 -179.658 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.528 ' HA ' HD12 ' A' ' 40' ' ' LEU . 91.2 p -61.49 -51.14 69.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.662 179.663 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -38.4 81.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.679 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -49.22 69.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 111.371 -179.296 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.586 HD22 HD21 ' A' ' 40' ' ' LEU . 1.5 mp -84.99 -20.11 31.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.222 -179.628 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.04 29.62 68.72 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.228 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.586 HD21 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -106.86 162.21 14.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.914 0.388 . . . . 0.0 110.757 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.44 151.61 23.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.54 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -51.89 -29.19 18.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 110.467 179.694 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.79 71.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.606 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -79.82 -28.13 40.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.156 177.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.623 HG23 ' CD2' ' A' ' 49' ' ' PHE . 26.1 mm -65.61 -39.54 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -49.76 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.233 0.54 . . . . 0.0 109.897 179.342 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -68.71 -41.47 82.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.878 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.559 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 8.1 t90 -58.55 -50.8 72.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.436 -179.48 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 45' ' ' ILE . 18.4 m-85 -69.92 -43.07 72.41 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.246 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.96 -30.95 71.6 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.616 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -75.97 -31.31 58.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.818 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HD3' ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 N--CA 1.461 0.099 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -23.73 40.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.455 -179.762 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -58.94 -39.66 82.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -46.92 76.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.252 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -75.32 -36.99 60.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.39 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.543 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 14.7 mt -64.13 -37.74 88.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.006 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -64.97 -53.74 41.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.7 179.815 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 p -68.66 -38.32 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.531 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -65.45 -45.5 83.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.773 -179.034 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.502 HD22 HD21 ' A' ' 40' ' ' LEU . 6.7 mp -84.88 -20.46 30.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.354 -179.492 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.47 17.31 79.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.854 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.502 HD21 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -101.85 161.48 13.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.635 179.71 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.67 153.22 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.636 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 3.5 mp0 -49.8 -29.18 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.107 0.48 . . . . 0.0 110.375 179.651 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.49 72.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.569 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -79.92 -27.87 39.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.163 177.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.585 HG23 ' CD1' ' A' ' 49' ' ' PHE . 24.5 mm -65.61 -39.36 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.763 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -50.8 71.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.32 0.581 . . . . 0.0 109.85 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -42.9 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.022 178.817 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.558 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.7 t90 -55.32 -50.16 70.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.316 -179.534 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CD1' HG23 ' A' ' 45' ' ' ILE . 17.9 m-85 -69.39 -42.48 75.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.06 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -31.11 71.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.563 179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.91 -36.71 56.44 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.744 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 10.6 tttp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.88 0.371 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -80.53 -23.37 40.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.288 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.646 ' HG2' HG21 ' A' ' 45' ' ' ILE . 3.8 mtp180 -58.06 -42.31 85.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -44.95 92.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.175 -179.685 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -75.62 -40.63 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.854 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.675 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 7.4 mt -64.02 -40.76 97.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.627 0.251 . . . . 0.0 111.457 -179.177 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.61 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.07 -46.5 87.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.897 0.379 . . . . 0.0 110.735 179.916 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.5 t -68.37 -45.9 71.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.755 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.07 -44.96 90.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.782 0.325 . . . . 0.0 111.457 -179.238 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.695 HD23 HD21 ' A' ' 40' ' ' LEU . 8.9 mp -84.95 -18.48 34.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.339 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.73 30.2 70.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.24 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.695 HD21 HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -113.29 158.51 20.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.84 155.9 20.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.531 179.635 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.4 mt-10 -50.49 -29.17 9.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.118 0.485 . . . . 0.0 110.51 179.676 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.81 73.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.676 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -79.56 -28.05 41.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.204 177.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.735 HG23 ' CD1' ' A' ' 49' ' ' PHE . 23.4 mm -65.71 -39.41 84.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.679 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -58.23 -50.08 74.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.189 0.519 . . . . 0.0 109.996 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -68.87 -43.77 82.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.054 178.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.592 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.2 t90 -58.12 -50.37 73.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.422 -179.603 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.735 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.2 m-85 -69.5 -42.73 74.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.265 179.402 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -31.19 72.27 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.294 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -72.91 -33.85 66.26 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.916 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.971 0.415 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -79.8 -23.58 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.523 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.492 ' HG2' HG21 ' A' ' 45' ' ' ILE . 1.6 mtm180 -60.26 -41.93 94.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.076 -179.54 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -63.5 -44.6 93.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.485 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -75.41 -40.4 57.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.559 -179.518 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.556 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 11.0 mt -64.16 -40.67 96.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.087 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.614 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -66.77 -49.91 64.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.71 179.81 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.28 -41.43 81.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.302 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.5 -46.59 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.452 -179.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 34' ' ' LEU . 3.1 mt -84.82 -18.86 33.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.307 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.44 30.83 63.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.235 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -114.47 158.77 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.931 0.396 . . . . 0.0 110.891 179.906 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.08 155.85 20.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.654 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 19.3 mp0 -52.36 -29.31 23.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.46 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.05 73.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.615 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -79.15 -27.82 42.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.224 177.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.597 HG23 ' CD2' ' A' ' 49' ' ' PHE . 20.8 mm -65.49 -39.36 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -57.51 -50.77 71.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.197 0.522 . . . . 0.0 109.852 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.88 -43.06 82.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.99 178.852 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 6.8 t90 -55.31 -50.26 70.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.118 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.597 ' CD2' HG23 ' A' ' 45' ' ' ILE . 16.0 m-85 -69.62 -42.61 74.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.772 179.093 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -31.2 70.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.461 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.27 -37.61 66.24 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.833 0.349 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -86.1 119.51 26.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -157.27 -59.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -142.94 171.16 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -132.48 -174.15 3.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -73.95 98.76 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.217 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.45 80.02 0.16 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.152 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m120 61.75 80.04 0.23 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.354 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -160.69 -58.06 0.06 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.439 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.937 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 3.1 p90 -39.55 -47.43 1.9 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.776 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.937 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.58 -18.74 6.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.183 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.937 ' N ' HD13 ' A' ' 26' ' ' LEU . 21.4 m -55.31 -78.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.14 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -61.31 -34.53 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.56 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -48.84 69.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.209 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.478 ' HD2' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -80.39 -26.01 38.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.435 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -63.68 -43.49 96.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.238 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.64 -37.34 70.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -75.63 -38.97 58.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.998 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.759 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 13.4 mt -64.13 -37.08 86.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.747 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.639 ' HA ' HD12 ' A' ' 40' ' ' LEU . 87.7 p -61.2 -53.51 55.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.552 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.9 p -68.36 -38.51 81.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.209 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -67.26 -48.34 68.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.585 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 40' ' ' LEU . 7.4 mp -84.88 -20.49 30.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.3 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.8 27.78 66.29 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.429 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -108.37 163.42 13.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 110.695 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.54 152.05 22.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.755 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 61.0 mt-10 -52.51 -29.11 23.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.591 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.98 71.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.64 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -79.94 -27.95 39.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.223 177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.681 HG23 ' CD1' ' A' ' 49' ' ' PHE . 20.4 mm -65.57 -39.56 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.79 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -50.44 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.182 0.515 . . . . 0.0 109.844 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -43.02 82.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.016 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 6.7 t90 -58.14 -50.46 73.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.403 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.759 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 18.0 m-85 -69.71 -42.76 73.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.369 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -65.77 -31.07 71.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.47 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -74.58 -33.25 62.63 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.829 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -31.75 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -81.49 -28.77 33.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.2 -68.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -46.04 87.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 23.5 mt 64.68 100.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER 45.71 -170.54 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.553 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.15 -42.27 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.746 0.308 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttp 60.19 -170.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.79 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.968 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.3 174.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.767 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -159.11 -174.24 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.496 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 1.9 m120 -73.92 98.9 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.88 87.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.541 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 5.3 m120 54.12 77.48 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.393 0.616 . . . . 0.0 110.699 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 41.7 mmm-85 -156.15 -65.13 0.11 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.3 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.973 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 2.5 p90 -33.73 -47.69 0.25 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.266 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.973 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.94 -18.7 6.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.492 -179.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.907 ' N ' HD13 ' A' ' 26' ' ' LEU . 16.1 m -54.71 -79.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 111.256 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -49.72 -34.2 18.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.811 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -48.85 63.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.592 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.65 ' HD2' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -80.13 -30.46 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.769 0.319 . . . . 0.0 111.447 -179.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -62.74 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.244 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.27 -43.24 91.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -40.68 57.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.374 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.694 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 14.6 mt -64.14 -37.43 87.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.78 0.324 . . . . 0.0 110.97 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.549 ' HA ' HD12 ' A' ' 40' ' ' LEU . 44.9 t -60.58 -49.6 76.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.731 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -38.41 81.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -49.0 67.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.424 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.68 HD22 HD21 ' A' ' 40' ' ' LEU . 3.4 mp -84.99 -20.58 30.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.327 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.56 30.34 66.68 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.68 HD21 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -109.85 163.64 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.421 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -83.48 148.89 26.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.709 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 3.3 mm-40 -52.61 -29.19 24.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.126 0.489 . . . . 0.0 110.544 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.79 -33.2 70.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.723 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.1 mm100 -80.85 -27.75 36.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.203 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' A' ' 49' ' ' PHE . 21.5 mm -65.6 -39.34 84.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.942 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -57.54 -49.59 75.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.287 0.565 . . . . 0.0 109.983 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.8 -42.48 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.901 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.1 t90 -56.6 -50.18 72.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.524 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.694 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 17.5 m-85 -69.54 -42.77 74.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.298 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -63.05 -31.25 72.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.235 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -80.53 -31.2 37.1 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-O 120.883 0.373 . . . . 0.0 110.683 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -39.34 82.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -114.49 99.1 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -168.69 31.99 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.057 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -128.2 31.59 5.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.8 mt -135.67 78.75 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.8 tttm 59.11 169.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.981 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -129.92 57.2 1.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.955 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.795 0.331 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.95 77.93 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -82.46 -68.59 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 58.62 90.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -112.82 -174.52 2.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.036 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 2.2 m-20 -89.07 99.88 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.263 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 82.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.206 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 m120 60.5 76.9 0.35 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.403 0.621 . . . . 0.0 110.428 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 1.6 mtt85 -160.51 -54.82 0.05 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.218 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.932 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 4.0 p90 -42.05 -46.64 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.751 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.955 HD13 ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -122.27 -20.55 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.404 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.955 ' N ' HD13 ' A' ' 26' ' ' LEU . 21.1 m -48.77 -80.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 111.265 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -55.5 -33.7 63.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.797 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -48.84 72.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.418 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -80.27 -25.48 39.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.512 -179.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.442 ' HG2' HG21 ' A' ' 45' ' ' ILE . 42.7 mtp180 -61.43 -42.27 98.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 0.0 111.232 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -67.44 -44.7 78.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -75.5 -36.84 60.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.744 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.698 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 13.2 mt -64.13 -40.55 96.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.142 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.509 ' HA ' HD12 ' A' ' 40' ' ' LEU . 86.5 p -58.13 -49.49 76.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.681 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -68.38 -39.73 81.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.656 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -48.53 69.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.502 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.558 HD22 HD21 ' A' ' 40' ' ' LEU . 2.0 mp -84.87 -20.4 30.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.294 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.87 27.41 70.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD21 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -110.14 163.58 13.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.824 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.717 ' ND2' ' HB3' ' A' ' 43' ' ' ALA . 1.1 p-10 -86.2 156.25 20.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.628 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.0 mt-10 -55.27 -30.15 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.134 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.717 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . . . -58.46 -34.43 70.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.085 0.469 . . . . 0.0 109.782 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -80.31 -28.09 38.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.129 177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.512 HG23 ' CD1' ' A' ' 49' ' ' PHE . 17.1 mm -65.6 -39.46 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.988 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -49.17 76.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.208 0.528 . . . . 0.0 109.78 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 51' ' ' ASN . 1.4 mp -68.73 -40.24 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.82 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.559 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 9.4 t90 -58.09 -50.27 74.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.797 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.698 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 20.3 m-85 -69.58 -42.84 73.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.468 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.37 -30.91 69.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ILE . 23.1 t-20 -75.9 -35.44 59.82 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.758 0.313 . . . . 0.0 111.221 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 2.0 tttm -57.82 -31.71 66.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.976 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.713 ' HA ' HD11 ' A' ' 56' ' ' ILE . 52.0 mtp85 -99.24 15.56 25.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.24 -57.27 13.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.836 0.35 . . . . 0.0 111.224 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -133.05 -47.77 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.713 HD11 ' HA ' ' A' ' 53' ' ' ARG . 36.6 mt 61.03 87.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.029 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.82 168.27 26.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -101.51 30.86 4.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.843 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.84 0.352 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -129.11 110.71 12.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -65.29 137.4 57.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -101.9 133.04 47.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -77.67 -176.16 4.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -81.69 98.77 8.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.81 84.53 0.92 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.258 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 11.4 m120 62.14 78.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.45 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 23' ' ' ASN . 88.2 mtt-85 -162.01 -60.22 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.36 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.658 ' CZ ' HD22 ' A' ' 26' ' ' LEU . 4.1 p90 -40.76 -46.83 2.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.407 -0.815 . . . . 0.0 112.285 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.728 HD23 ' N ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -123.89 -12.08 7.57 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.728 ' N ' HD23 ' A' ' 26' ' ' LEU . 9.5 m -48.16 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 27' ' ' THR . 2.5 mt-10 -59.25 -39.83 84.07 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -65.53 -48.84 71.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 111.574 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.405 ' HG2' HD12 ' A' ' 34' ' ' LEU . 24.3 ttt180 -80.08 -22.92 41.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.683 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.592 ' HG2' HG21 ' A' ' 45' ' ' ILE . 6.6 mtp180 -57.53 -39.74 77.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 111.083 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -46.15 87.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.999 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -75.62 -42.11 52.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.647 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD12 ' HG2' ' A' ' 30' ' ' ARG . 6.3 mt -63.83 -40.57 96.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 0.0 110.986 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.598 ' HA ' HD12 ' A' ' 40' ' ' LEU . 47.4 t -64.7 -50.59 66.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.572 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.0 m -68.34 -41.06 81.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.706 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' OE1' HD12 ' A' ' 38' ' ' LEU . 1.3 tm-20 -64.78 -46.57 81.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.466 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.598 ' CD2' HD21 ' A' ' 40' ' ' LEU . 11.2 mp -84.98 -16.39 41.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.373 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.33 29.67 69.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.135 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -113.34 157.86 21.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.95 0.405 . . . . 0.0 110.77 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.04 155.86 19.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.517 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.434 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.1 mt-10 -51.34 -29.22 14.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.116 0.484 . . . . 0.0 110.514 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.78 -35.81 73.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.631 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -79.2 -27.86 42.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.256 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.637 HG23 ' CD1' ' A' ' 49' ' ' PHE . 23.5 mm -65.61 -39.42 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.813 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -57.97 -49.68 75.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.244 0.545 . . . . 0.0 109.823 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.75 -41.66 82.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.862 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.567 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.6 t90 -58.47 -50.46 73.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.527 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.637 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.4 m-85 -69.56 -42.74 74.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.555 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -68.11 -30.97 70.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.698 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -74.4 -28.98 61.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.041 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 4.4 mttt -71.79 -29.38 64.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.0 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -85.38 7.99 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.472 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.98 -28.76 29.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.067 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.17 -36.23 13.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.027 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.0 mt 51.79 97.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.235 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -60.37 132.24 53.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.45 -51.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.1 m . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.9 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.822 0.344 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -95.67 128.54 42.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -78.42 -51.66 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 61.69 76.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -87.36 -176.09 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -101.07 99.52 9.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.787 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -55.12 -47.56 74.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.053 0.454 . . . . 0.0 110.169 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.406 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 5.5 m120 -152.93 82.17 1.21 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.174 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -157.11 -66.45 0.1 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.713 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.963 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 2.2 p90 -35.26 -48.09 0.44 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.48 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.963 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.17 -19.04 6.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.439 -179.325 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.918 ' N ' HD13 ' A' ' 26' ' ' LEU . 17.2 m -55.85 -68.76 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.323 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.8 -39.06 73.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.76 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -47.2 79.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.61 ' HD2' HD23 ' A' ' 26' ' ' LEU . 8.3 ttt180 -79.84 -23.5 41.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.46 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' CG ' HG21 ' A' ' 45' ' ' ILE . 3.5 mtp180 -60.14 -41.29 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 111.269 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.45 -45.83 89.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.965 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -75.58 -42.91 50.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.565 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.594 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 11.9 mt -64.17 -40.67 96.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 111.014 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.618 ' HA ' HD12 ' A' ' 40' ' ' LEU . 9.1 t -65.53 -49.78 67.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.615 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -68.36 -43.81 76.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.721 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.32 -45.94 85.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.449 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.503 HD13 HD21 ' A' ' 40' ' ' LEU . 6.9 mt -84.93 -20.31 30.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.216 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.63 27.19 71.51 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -109.68 161.5 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.942 0.401 . . . . 0.0 110.826 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.756 ' ND2' ' HB3' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -86.96 156.34 19.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.648 179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 64.4 mt-10 -53.94 -29.78 43.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.123 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.756 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . . . -58.55 -34.19 70.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.743 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -80.27 -28.08 38.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.277 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.587 HG23 ' CD1' ' A' ' 49' ' ' PHE . 20.3 mm -65.59 -39.44 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -57.56 -49.34 76.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.243 0.544 . . . . 0.0 109.943 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.69 -41.44 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.814 178.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.587 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.5 t90 -58.35 -50.69 72.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.371 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.594 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 18.4 m-85 -69.87 -44.21 70.28 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.056 179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.11 -31.11 72.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.455 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -73.8 -35.87 64.95 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 1.6 mttm -69.35 -29.67 67.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -91.26 12.86 18.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.323 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.2 26.99 4.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 111.078 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -110.27 33.06 4.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.7 mt -115.5 75.3 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 179.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.0 pttt -141.0 168.96 18.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.811 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.762 0.315 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.73 161.52 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.12 -176.42 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.471 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 16.8 mt-10 62.42 107.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.471 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 28.6 p90 45.86 -172.92 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.64 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.486 ' CB ' ' HB2' ' A' ' 24' ' ' ARG . 11.4 m-20 -92.96 101.12 13.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -56.32 136.55 53.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.44 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.6 m120 44.77 38.16 2.68 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 121.522 0.677 . . . . 0.0 111.279 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.486 ' HB2' ' CB ' ' A' ' 21' ' ' ASN . 3.5 mmt85 -138.58 -49.75 0.54 Allowed 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.058 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.752 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 2.2 p90 -42.42 -46.19 4.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.78 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.787 HD13 ' HD2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -119.4 -29.42 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.407 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 28' ' ' GLU . 18.2 m -43.98 -83.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.938 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' N ' HG22 ' A' ' 27' ' ' THR . 13.3 mt-10 -61.56 -34.32 75.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.023 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -61.81 -48.72 79.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.021 0.439 . . . . 0.0 110.96 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.787 ' HD2' HD13 ' A' ' 26' ' ' LEU . 26.6 mtt180 -80.22 -23.63 40.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.434 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -61.65 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -64.26 -45.63 87.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -75.61 -38.56 58.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.656 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.697 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 12.2 mt -64.17 -37.53 87.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 111.017 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.418 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -62.29 -53.63 52.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.506 179.634 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -38.42 80.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.495 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.1 -48.53 70.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.379 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.424 HD13 HD21 ' A' ' 40' ' ' LEU . 5.4 mt -84.8 -20.48 30.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.244 -179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.46 22.2 79.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.789 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' H ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -104.63 159.93 15.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.749 179.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.22 154.0 24.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.66 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.8 mm-40 -52.21 -29.51 22.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.073 0.463 . . . . 0.0 110.599 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.88 -35.5 73.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.517 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -79.52 -27.76 41.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.203 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.626 HG23 ' CD1' ' A' ' 49' ' ' PHE . 24.5 mm -65.51 -39.6 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.05 -49.58 76.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.204 0.526 . . . . 0.0 109.952 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -42.31 82.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.876 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.571 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.0 t90 -57.77 -50.3 73.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.426 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.697 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 17.8 m-85 -69.64 -42.79 73.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.458 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 1.6 mt-30 -65.85 -31.09 71.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.433 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.81 -38.79 80.13 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.724 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.12 -39.35 94.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.739 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? -127.05 100.83 6.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 50' ' ' GLN . . . -166.31 -48.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -98.3 28.43 4.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.3 mt -141.53 78.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.4 84.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -147.33 51.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.818 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.7 139.66 39.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.58 -34.07 31.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 59.79 160.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -158.24 -179.03 7.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 1.4 m-80 -83.71 117.72 23.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.649 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.97 104.03 16.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.255 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.595 ' HB3' HG21 ' A' ' 27' ' ' THR . 5.8 m120 61.4 39.68 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.501 0.667 . . . . 0.0 111.385 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 38.7 mtt180 -134.52 -45.9 0.75 Allowed 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.159 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.922 ' CE2' HD23 ' A' ' 26' ' ' LEU . 2.4 p90 -50.53 -46.55 57.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.862 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.922 HD23 ' CE2' ' A' ' 25' ' ' TYR . 0.4 OUTLIER -125.74 -41.03 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.63 -179.048 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.623 HG22 ' N ' ' A' ' 28' ' ' GLU . 1.1 m -46.15 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.569 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.623 ' N ' HG22 ' A' ' 27' ' ' THR . 1.8 mm-40 -61.71 -36.31 80.57 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.17 -48.9 69.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.463 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.578 ' O ' HD12 ' A' ' 34' ' ' LEU . 1.2 ttt180 -80.14 -23.32 41.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.309 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.585 ' NH1' HG23 ' A' ' 27' ' ' THR . 7.0 mtm-85 -57.98 -40.3 80.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.966 0.412 . . . . 0.0 111.021 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -40.06 75.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.18 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -75.59 -39.06 58.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.423 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -64.35 -39.58 94.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.119 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.59 ' HA ' HD12 ' A' ' 40' ' ' LEU . 90.5 p -60.93 -48.85 79.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.749 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 t -68.28 -43.65 77.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.531 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -45.86 83.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.494 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' CD1' HD23 ' A' ' 34' ' ' LEU . 3.5 mt -84.86 -20.44 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.306 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.52 29.7 67.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -113.44 163.34 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.02 155.44 20.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.7 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 28.0 mt-10 -53.78 -29.51 40.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.064 0.459 . . . . 0.0 110.592 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.79 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.245 0.545 . . . . 0.0 109.694 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -78.2 -27.74 47.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.362 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.529 HD11 ' CD1' ' A' ' 40' ' ' LEU . 14.9 mm -65.56 -39.47 85.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.102 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.9 ttpp -57.29 -49.48 75.96 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.246 0.546 . . . . 0.0 109.93 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.82 -40.5 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.843 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.555 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 9.2 t90 -57.19 -50.44 72.85 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.652 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.57 ' HZ ' HD13 ' A' ' 34' ' ' LEU . 20.0 m-85 -69.59 -42.68 74.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.44 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 5.3 mt-30 -66.63 -31.01 71.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.536 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -78.48 -41.31 32.9 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -64.32 -36.95 85.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.2 mtp-105 -128.7 102.42 6.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 50' ' ' GLN . . . -144.66 -54.75 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.58 -55.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.2 mt 58.71 99.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.42 165.3 19.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -98.78 31.18 3.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.958 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.713 0.292 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -108.95 155.08 21.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -138.38 131.11 29.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.719 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -72.32 118.77 15.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -107.88 -174.22 2.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -66.06 98.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.305 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -63.12 85.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 m120 64.69 90.83 0.08 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.659 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.541 ' HG3' ' N ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -171.82 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.138 -179.008 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.928 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 2.2 p90 -42.55 -47.48 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.501 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.928 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.64 -19.2 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.926 ' N ' HD13 ' A' ' 26' ' ' LEU . 18.1 m -55.69 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.745 0.307 . . . . 0.0 111.095 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.447 ' N ' HG22 ' A' ' 27' ' ' THR . 36.1 mt-10 -61.91 -33.61 74.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.667 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -48.65 77.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.22 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 10.1 ttm-85 -80.09 -23.82 41.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.284 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.45 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 111.095 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -63.64 -43.59 96.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -42.25 55.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.277 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.424 HD22 ' CZ2' ' A' ' 48' ' ' TRP . 17.9 mt -64.21 -37.35 87.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.54 ' HA ' HD12 ' A' ' 40' ' ' LEU . 83.5 p -67.72 -52.0 42.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.697 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 p -68.24 -41.56 80.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.52 -46.29 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.439 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD13 HD21 ' A' ' 40' ' ' LEU . 10.7 mt -84.79 -20.63 30.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.202 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.99 24.95 75.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.708 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.4 OUTLIER -107.73 163.66 12.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.971 0.415 . . . . 0.0 110.854 179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.05 155.69 20.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.403 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 16.2 mt-10 -52.51 -29.37 24.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.079 0.466 . . . . 0.0 110.58 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.9 73.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.602 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -28.24 44.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.301 177.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.513 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 21.0 mm -65.55 -39.38 84.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 114.753 -1.112 . . . . 0.0 111.025 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -49.21 75.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.249 0.547 . . . . 0.0 109.681 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -39.86 80.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.63 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.521 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 10.6 t90 -56.12 -50.25 71.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.698 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.521 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 21.3 m-85 -69.4 -42.71 74.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.507 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -67.38 -30.95 70.86 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.565 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -42.55 90.47 Favored 'General case' 0 C--N 1.334 -0.065 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.019 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.27 -30.49 68.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -27.28 60.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.95 -52.56 64.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.325 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 25.91 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.092 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.0 mt -153.0 86.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.37 77.13 1.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.91 175.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.917 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.781 0.324 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 mtpt -74.47 115.62 14.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.9 mtt-85 -106.44 -41.41 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -118.83 141.93 48.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.69 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -155.68 -178.76 7.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.913 0.387 . . . . 0.0 111.192 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 78.5 m-20 -102.04 103.41 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -54.14 -45.43 71.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.073 0.463 . . . . 0.0 110.197 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -152.08 79.71 1.25 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.145 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 27.9 mtm-85 -159.74 -54.9 0.06 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.559 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.939 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 3.4 p90 -42.28 -48.04 4.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.855 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.948 HD13 ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -121.38 -20.15 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 -179.683 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.948 ' N ' HD13 ' A' ' 26' ' ' LEU . 34.7 m -50.89 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 0.0 111.264 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -59.02 -34.06 71.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.447 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -48.53 76.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.109 -179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' LEU . 1.4 mtm180 -80.09 -23.49 41.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.335 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HD3' HG22 ' A' ' 27' ' ' THR . 1.2 mtp85 -58.2 -40.99 83.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.374 . . . . 0.0 111.086 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -42.06 76.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.055 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -75.65 -39.08 58.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.791 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 30' ' ' ARG . 5.5 mt -65.39 -40.69 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.128 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.559 ' HA ' HD12 ' A' ' 40' ' ' LEU . 60.1 p -62.48 -48.57 79.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.641 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.37 -38.44 81.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.706 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.48 -51.1 55.38 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.583 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.585 HD22 HD21 ' A' ' 40' ' ' LEU . 7.5 mp -84.79 -20.14 31.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.363 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.97 28.47 68.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.53 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD21 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -107.89 162.49 13.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.776 ' ND2' ' HB3' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -85.31 156.32 20.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.487 179.706 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.09 -29.79 32.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.06 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.776 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . . . -58.55 -34.49 71.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.84 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.93 -28.53 39.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.247 177.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.513 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 10.4 mm -65.62 -39.47 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.017 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -49.31 75.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.165 0.507 . . . . 0.0 109.879 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.76 -41.32 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.846 0.831 . . . . 0.0 109.615 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.9 t90 -55.39 -50.33 70.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.31 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 19.0 m-85 -69.7 -42.79 73.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.993 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -31.19 72.27 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.535 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.6 -41.77 65.24 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.802 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -31.99 65.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -81.47 -1.06 44.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.424 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -97.65 28.06 4.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.868 0.366 . . . . 0.0 111.211 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -97.31 -44.35 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mt 59.86 82.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 78.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.31 -40.19 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.891 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.746 0.307 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.8 pttm -108.52 170.39 8.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.07 129.73 17.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 3.7 mt-10 -89.05 109.4 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.469 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 14.8 p90 46.44 -173.3 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.551 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -65.14 96.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.158 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.67 85.47 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m120 66.35 91.25 0.09 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.791 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' CG ' ' N ' ' A' ' 25' ' ' TYR . 0.2 OUTLIER -172.9 -66.73 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.044 -179.179 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.943 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 2.3 p90 -33.59 -45.37 0.17 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.72 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.943 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -123.04 -19.56 6.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.077 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.934 ' N ' HD13 ' A' ' 26' ' ' LEU . 24.5 m -55.45 -48.1 75.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.08 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.71 -52.99 62.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.781 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -41.7 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.912 0.387 . . . . 0.0 111.154 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HG3' HD23 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -79.85 -23.23 42.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.373 -179.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.647 ' HD2' HG22 ' A' ' 27' ' ' THR . 0.2 OUTLIER -58.17 -43.43 87.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 111.022 -179.546 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -64.41 -41.75 96.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.038 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 37' ' ' GLU . 14.3 mt-30 -75.66 -43.95 44.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.574 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' CD2' ' CZ2' ' A' ' 48' ' ' TRP . 3.3 mt -64.12 -40.62 96.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 111.238 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.569 ' HA ' HD12 ' A' ' 40' ' ' LEU . 42.1 t -65.23 -45.12 85.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.771 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 t -68.4 -46.66 69.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.83 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 0.9 OUTLIER -64.51 -45.67 86.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.567 -179.068 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.652 HD13 HD21 ' A' ' 40' ' ' LEU . 11.0 mt -84.86 -20.74 30.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.418 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.59 29.2 71.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.322 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.652 HD21 HD13 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -108.76 162.64 13.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 0.0 110.837 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.97 155.79 20.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.725 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.3 mp0 -53.26 -29.53 33.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.82 -36.72 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.181 0.515 . . . . 0.0 109.631 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.49 -27.87 46.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.274 177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.512 HD11 ' CD1' ' A' ' 40' ' ' LEU . 19.2 mm -65.63 -39.43 84.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.031 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -56.68 -48.86 76.7 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.181 0.515 . . . . 0.0 109.815 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.72 -40.06 81.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.695 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.554 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 10.0 t90 -57.5 -50.4 73.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.351 -1.295 . . . . 0.0 110.648 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.554 ' CD1' ' CE3' ' A' ' 48' ' ' TRP . 20.6 m-85 -69.59 -42.79 73.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.422 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -66.55 -31.14 71.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.419 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -74.36 -40.06 62.36 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -65.26 -34.78 79.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -65.42 -28.07 68.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.007 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.45 -30.71 63.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.148 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.92 -24.53 55.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.011 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.5 mt 68.24 103.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.091 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -155.45 104.99 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.08 117.89 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.816 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.88 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.852 0.358 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.87 -177.87 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -120.2 168.4 11.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.663 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.06 172.6 13.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.792 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -165.52 -174.99 3.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.698 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 19.5 m-80 -100.16 104.04 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.18 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -65.05 80.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.156 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.423 ' C ' ' HG2' ' A' ' 24' ' ' ARG . 12.1 m120 59.45 74.36 0.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.46 0.648 . . . . 0.0 110.448 -179.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.462 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 24.9 mmt180 -156.71 -53.91 0.08 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.117 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.967 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 3.5 p90 -47.06 -47.68 22.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.007 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.967 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.83 -20.57 5.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.546 -179.257 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.948 ' N ' HD13 ' A' ' 26' ' ' LEU . 5.0 m -53.77 -87.89 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.668 0.27 . . . . 0.0 110.968 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.611 ' N ' HG22 ' A' ' 27' ' ' THR . 39.7 mt-10 -54.61 -34.05 61.42 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -68.4 -49.14 62.22 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.74 0.274 . . . . 0.0 111.74 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -27.5 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.579 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.563 ' HG3' HG21 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -59.77 -41.47 91.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 -179.546 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -37.89 68.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.047 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -34.76 60.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.345 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.464 HD11 ' CH2' ' A' ' 48' ' ' TRP . 0.4 OUTLIER -63.9 -40.38 96.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.923 -179.733 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.615 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -59.66 -53.49 57.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.753 179.749 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.1 p -68.38 -38.44 81.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.567 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -68.09 -48.94 64.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.623 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.477 HD23 HD21 ' A' ' 40' ' ' LEU . 9.2 mp -84.85 -19.99 31.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.23 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.22 28.79 67.48 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.431 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -107.24 163.32 13.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 110.783 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.06 154.19 20.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.459 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 79.3 mm-40 -51.17 -28.98 12.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.138 0.494 . . . . 0.0 110.389 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.57 -35.6 72.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.713 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -28.46 41.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.146 177.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.702 HG23 ' CD1' ' A' ' 49' ' ' PHE . 25.9 mm -65.67 -39.4 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -49.97 75.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.191 0.519 . . . . 0.0 109.924 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt -68.99 -42.62 82.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.111 178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.574 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.1 t90 -59.11 -50.31 74.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.682 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.702 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.2 m-85 -69.6 -42.64 74.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.253 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -31.02 72.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.445 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.59 -37.58 79.94 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.889 0.376 . . . . 0.0 110.828 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -58.85 -35.11 72.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.055 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.0 mmt-85 -104.07 15.57 28.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.336 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.86 -30.41 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.085 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.48 -34.06 69.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.8 mt 64.77 98.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -121.38 140.35 52.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -76.31 157.53 32.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.293 -0.861 . . . . 0.0 110.892 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.794 0.331 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.48 103.95 9.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -173.36 -63.62 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -131.82 160.74 34.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -72.39 -176.39 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.433 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 1.7 m-20 -84.47 130.44 34.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.697 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -96.95 114.28 25.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.703 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 56.97 37.26 28.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.587 0.708 . . . . 0.0 110.523 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -140.16 -44.71 0.42 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.674 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.476 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 5.8 p90 -53.86 -47.65 70.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.049 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.89 HD23 ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -125.25 -41.22 2.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.406 -178.34 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.89 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.2 m -42.99 -49.89 5.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.888 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.57 -53.68 53.11 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -65.92 -41.46 91.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 111.303 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' HB2' ' HG ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -74.89 -23.35 58.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.626 -179.533 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HG2' HG21 ' A' ' 45' ' ' ILE . 6.1 mtp180 -58.25 -42.44 86.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 110.958 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.92 -40.93 87.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.983 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -75.54 -43.23 49.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.565 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 mt -64.22 -39.75 94.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 110.757 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.533 ' HA ' HD12 ' A' ' 40' ' ' LEU . 90.8 p -64.42 -51.71 61.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.2 -38.91 82.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.412 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -67.53 -48.34 67.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.579 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' CD2' HD21 ' A' ' 40' ' ' LEU . 7.9 mp -84.85 -20.55 30.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.319 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.3 28.31 70.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.511 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -106.8 163.72 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.787 179.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.55 150.97 24.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.61 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.4 mt-10 -52.88 -29.29 27.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.098 0.475 . . . . 0.0 110.571 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.91 71.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.64 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -79.93 -27.85 39.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.227 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.56 HD11 ' CD1' ' A' ' 40' ' ' LEU . 18.5 mm -65.58 -39.41 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.009 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -57.03 -49.18 76.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.33 0.586 . . . . 0.0 109.828 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.81 -40.78 81.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.658 178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.55 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 9.5 t90 -57.02 -50.34 73.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.643 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 19.2 m-85 -69.67 -42.76 73.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.419 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -66.82 -31.04 71.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.579 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -75.95 -37.85 58.19 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -44.02 97.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.79 101.91 7.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.08 -48.64 2.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -85.93 -64.78 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mt 63.98 102.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.98 130.63 14.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm 60.49 169.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.974 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -140.53 113.12 8.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -165.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.814 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 61.9 176.63 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.798 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -167.19 -172.64 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.429 ' HB3' ' HB3' ' A' ' 24' ' ' ARG . 6.7 m-20 -60.56 96.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.209 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -60.95 98.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.599 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.761 ' HB3' HG21 ' A' ' 27' ' ' THR . 2.6 m-80 62.64 87.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.698 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' N ' ' HB ' ' A' ' 27' ' ' THR . 0.6 OUTLIER -177.04 -70.31 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.938 -179.024 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 5.3 p90 -39.22 -47.44 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.985 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.806 HD23 ' N ' ' A' ' 27' ' ' THR . 0.1 OUTLIER -124.04 -37.23 2.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.141 -178.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.806 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.4 m -46.85 -80.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.511 -179.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.646 ' N ' HG22 ' A' ' 27' ' ' THR . 11.4 mt-10 -49.82 -38.93 36.9 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -66.98 -48.72 67.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 111.62 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -80.15 -23.53 41.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.866 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.493 ' HG2' HG21 ' A' ' 45' ' ' ILE . 3.8 tmm_? -58.04 -37.45 74.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.091 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -42.7 73.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.091 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -75.42 -38.73 59.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.25 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mt -64.11 -39.61 94.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 110.922 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.523 ' HA ' HD12 ' A' ' 40' ' ' LEU . 2.8 t -65.86 -51.88 55.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -40.26 82.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.596 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.95 -46.73 77.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.424 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.503 HD13 HD21 ' A' ' 40' ' ' LEU . 3.8 mt -84.87 -20.6 30.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.313 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.04 27.9 71.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.41 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -106.09 163.59 12.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.956 0.408 . . . . 0.0 110.802 179.74 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.53 151.41 23.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.589 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 1.1 tt0 -52.84 -29.14 26.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.108 0.48 . . . . 0.0 110.547 179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.77 71.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.636 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -80.03 -27.88 39.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.198 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.574 HG23 ' CD1' ' A' ' 49' ' ' PHE . 23.0 mm -65.55 -39.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -49.14 76.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.253 0.549 . . . . 0.0 109.901 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -41.62 82.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.832 178.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.549 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.9 t90 -56.85 -50.27 72.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.512 -1.222 . . . . 0.0 110.612 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CD1' HG23 ' A' ' 45' ' ' ILE . 19.2 m-85 -69.56 -42.77 74.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.345 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.97 -30.97 71.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.496 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -40.68 78.52 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HD2' ' CZ3' ' A' ' 48' ' ' TRP . 8.6 mttm -65.65 -29.67 70.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.36 -6.89 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.516 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.8 -29.88 70.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.849 0.356 . . . . 0.0 111.312 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -59.72 4.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.5 mt 67.88 107.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -103.92 -178.33 3.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.77 126.54 54.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.0 p . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.942 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.81 0.338 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.21 98.02 3.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 59.64 -177.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -122.86 106.45 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -175.45 177.62 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 71.1 m-80 -82.41 102.04 11.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.651 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.08 -45.49 87.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.623 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.462 ' C ' ' HG2' ' A' ' 24' ' ' ARG . 5.8 m120 -152.59 66.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.481 0.658 . . . . 0.0 110.797 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.462 ' HG2' ' C ' ' A' ' 23' ' ' ASN . 1.4 mmm180 -145.59 -49.4 0.23 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.437 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.929 ' CE2' HD23 ' A' ' 26' ' ' LEU . 2.6 p90 -49.4 -52.2 30.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.353 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.929 HD23 ' CE2' ' A' ' 25' ' ' TYR . 1.2 pp -117.55 -29.69 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 111.236 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 28' ' ' GLU . 15.6 m -44.26 -82.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.693 -179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.476 ' N ' HG22 ' A' ' 27' ' ' THR . 62.1 mt-10 -49.92 -35.76 25.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 112.177 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -66.85 -48.84 67.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.807 0.337 . . . . 0.0 111.5 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.38 -24.74 39.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.499 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HG2' HG21 ' A' ' 45' ' ' ILE . 5.1 tmm_? -61.28 -42.43 98.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 0.0 111.251 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -46.21 85.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.171 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -75.53 -39.71 57.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.525 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.502 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 16.1 mt -64.05 -40.72 96.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.763 0.316 . . . . 0.0 111.123 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.645 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -66.81 -50.67 61.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.698 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -68.52 -39.62 81.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.466 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -67.01 -49.4 65.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.458 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.467 HD13 HD21 ' A' ' 40' ' ' LEU . 3.0 mt -84.77 -15.57 44.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.357 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.71 32.03 70.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.291 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.6 OUTLIER -114.04 156.15 24.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.938 0.399 . . . . 0.0 110.927 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.24 156.02 21.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.605 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -50.27 -29.78 10.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.07 0.462 . . . . 0.0 110.448 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' A' ' 46' ' ' LYS . . . -58.99 -33.1 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.944 179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -82.33 -27.65 32.1 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.225 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.544 HG23 ' CD2' ' A' ' 49' ' ' PHE . 15.2 mm -65.72 -39.73 85.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.289 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 31.5 pttt -59.18 -47.88 83.68 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 109.91 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -69.15 -43.55 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.666 0.746 . . . . 0.0 109.682 178.438 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 6.3 t90 -55.39 -50.37 69.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.274 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 15.7 m-85 -69.83 -42.76 73.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.015 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.46 -31.19 72.28 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 1.3 t-20 -80.52 -36.31 33.38 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -31.07 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.735 ' HA ' HD11 ' A' ' 56' ' ' ILE . 9.6 mtm180 -67.34 -26.02 66.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.041 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.14 -21.2 64.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.477 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.15 73.86 0.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.898 0.38 . . . . 0.0 111.038 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.735 HD11 ' HA ' ' A' ' 53' ' ' ARG . 41.8 mt -130.78 82.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.26 108.94 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.819 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.77 179.2 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.335 -0.841 . . . . 0.0 110.932 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 78.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -131.9 163.01 29.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.813 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -122.3 86.77 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -147.92 -179.66 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.433 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 1.9 m-20 -78.75 100.34 7.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -53.03 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.019 0.438 . . . . 0.0 110.183 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.508 ' HB3' HG21 ' A' ' 27' ' ' THR . 3.5 m120 -146.68 81.82 1.57 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.117 178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 90.4 mtt180 -161.37 -58.22 0.05 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.147 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.97 ' CE2' HD23 ' A' ' 26' ' ' LEU . 1.9 p90 -41.22 -51.09 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.017 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.97 HD23 ' CE2' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -118.42 -31.44 4.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 110.711 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.587 HG22 ' N ' ' A' ' 28' ' ' GLU . 17.8 m -48.26 -91.19 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.169 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.587 ' N ' HG22 ' A' ' 27' ' ' THR . 2.3 mt-10 -62.05 -33.93 75.3 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.006 0.372 . . . . 0.0 112.006 -179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -49.04 74.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 111.262 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 3.9 ttm180 -80.3 -23.67 40.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mtp85 -61.46 -43.08 99.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -71.71 -39.48 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -74.71 -33.21 62.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 12.7 mt -64.04 -40.8 97.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.1 t -61.65 -53.51 55.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.976 0.417 . . . . 0.0 110.607 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -68.49 -38.26 80.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.509 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.58 -53.43 16.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.657 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.2 mp -85.24 -11.72 54.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.37 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.41 32.23 71.65 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.562 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.704 HD22 ' CB ' ' A' ' 44' ' ' GLN . 7.0 mt -101.76 154.86 18.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.156 0.503 . . . . 0.0 111.504 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -87.36 147.18 25.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.354 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -50.6 -32.65 19.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.125 0.488 . . . . 0.0 110.062 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.52 88.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.49 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.704 ' CB ' HD22 ' A' ' 40' ' ' LEU . 19.9 mm100 -77.41 -29.42 53.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.558 0.694 . . . . 0.0 109.498 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.541 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 1.0 OUTLIER -65.89 -39.09 83.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.134 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -55.72 -48.27 75.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.213 0.53 . . . . 0.0 109.644 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -40.52 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.548 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.541 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . 9.7 t90 -55.36 -49.97 70.88 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.724 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 19.8 m-85 -69.43 -42.59 74.79 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.295 179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.44 -31.03 71.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.559 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -79.1 -35.52 42.15 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.809 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -29.34 67.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.008 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 ttt-85 -84.26 4.46 30.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.485 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.0 -58.96 2.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.219 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -31.1 69.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.6 mt 64.76 100.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.34 169.89 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.77 169.46 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 83.9 p . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.899 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.853 0.359 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -87.53 106.51 18.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -98.45 117.87 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.49 96.83 3.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.786 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -141.97 -173.61 3.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.516 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 70.0 m-80 -102.32 120.04 39.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.812 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.69 -18.77 61.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.646 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' O ' ' CB ' ' A' ' 27' ' ' THR . 0.2 OUTLIER -173.33 43.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.504 0.668 . . . . 0.0 111.009 -179.624 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.516 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 7.5 mmm180 -129.37 -45.2 1.23 Allowed 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.81 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.535 ' CZ ' HD22 ' A' ' 26' ' ' LEU . 2.2 p90 -48.22 -47.68 35.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.549 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.755 HD23 ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -120.08 -17.21 8.43 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.053 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.755 ' N ' HD23 ' A' ' 26' ' ' LEU . 5.8 m -48.73 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.74 0.305 . . . . 0.0 111.301 -178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.547 ' N ' HG22 ' A' ' 27' ' ' THR . 32.5 mt-10 -61.69 -35.04 76.86 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -49.21 64.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.671 -179.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.726 ' HD2' HD12 ' A' ' 26' ' ' LEU . 6.1 ttt180 -80.34 -27.87 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.34 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.471 ' HG2' HG21 ' A' ' 45' ' ' ILE . 33.5 mtp180 -59.28 -40.46 86.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -65.21 -44.73 87.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.18 -38.22 60.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.9 mt -64.05 -38.75 92.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.921 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.652 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -65.28 -52.77 52.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.648 179.762 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.0 m -68.27 -40.66 81.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.446 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -64.61 -47.4 78.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.238 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.577 HD13 HD21 ' A' ' 40' ' ' LEU . 80.4 mt -84.87 -17.09 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.233 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.36 29.57 69.99 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.369 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -112.81 159.52 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.947 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -87.05 155.98 19.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.423 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.436 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 70.1 mt-10 -49.7 -29.06 6.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.358 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.83 -36.16 74.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.605 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.93 -27.93 43.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.227 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.613 HG23 ' CD2' ' A' ' 49' ' ' PHE . 24.6 mm -65.52 -39.51 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.955 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -57.7 -49.77 75.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.163 0.506 . . . . 0.0 109.832 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mt -68.87 -43.2 82.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.981 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.561 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 7.8 t90 -55.92 -50.28 71.15 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.328 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.613 ' CD2' HG23 ' A' ' 45' ' ' ILE . 16.7 m-85 -69.52 -42.74 74.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.283 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -64.35 -31.16 72.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.368 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.35 -42.0 38.25 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.772 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.49 -29.46 64.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -66.92 -20.38 65.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.46 28.86 3.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.342 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.74 -68.38 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mt 60.86 98.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp 62.82 146.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.58 179.84 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.887 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.41 153.04 50.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.804 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -136.64 154.8 50.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.978 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 62.21 111.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -122.75 -175.78 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.693 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 5.6 m-20 -77.3 114.51 16.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.393 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -82.17 108.26 15.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.553 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.425 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 2.5 m-80 60.45 40.2 17.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.382 0.61 . . . . 0.0 111.319 179.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 52.0 mtt-85 -141.1 -47.46 0.4 Allowed 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.575 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 2.6 p90 -45.97 -45.24 15.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.16 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.562 HD23 ' C ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -129.56 5.5 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.149 -178.231 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 28' ' ' GLU . 22.1 m -80.86 -88.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.636 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.515 ' N ' HG22 ' A' ' 27' ' ' THR . 2.7 mt-10 -61.96 -47.24 85.74 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -61.06 -47.23 87.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 111.38 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.857 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -80.11 -23.19 41.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.633 -179.506 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtp-105 -57.77 -40.67 80.33 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.914 0.388 . . . . 0.0 110.953 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -38.99 91.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.029 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -75.61 -35.23 60.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.857 HD12 ' O ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -64.13 -38.6 91.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.724 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.617 ' HA ' HD12 ' A' ' 40' ' ' LEU . 35.1 t -64.34 -53.31 50.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.753 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.2 t -68.17 -38.42 82.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.394 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.19 -48.63 72.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.389 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.656 HD22 HD21 ' A' ' 40' ' ' LEU . 2.9 mp -84.93 -20.61 30.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.309 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.91 28.64 66.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.453 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.656 HD21 HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -106.98 163.79 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.852 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.58 149.26 26.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.468 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.44 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 1.0 OUTLIER -52.29 -30.84 30.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.074 0.464 . . . . 0.0 110.412 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.99 -32.97 70.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.779 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -78.42 -27.62 46.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.573 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.692 HG23 ' CD1' ' A' ' 49' ' ' PHE . 30.5 mm -65.39 -39.53 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.909 -179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -58.06 -51.04 71.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.196 0.522 . . . . 0.0 109.676 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -69.07 -45.65 79.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.357 178.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.576 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 6.5 t90 -55.37 -50.32 70.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.262 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.692 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.1 m-85 -69.72 -42.79 73.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.914 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -62.04 -31.25 71.63 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.709 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -78.39 -38.2 42.25 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 0.0 110.748 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -34.97 72.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.815 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -122.89 101.8 7.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.809 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.72 27.81 2.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.9 -50.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mt 57.41 85.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.201 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.35 72.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -95.04 179.17 5.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.916 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.14 117.19 29.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.0 ttt-85 -176.28 -48.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -161.45 150.13 15.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.822 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -122.78 -176.6 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' HB3' ' CG ' ' A' ' 24' ' ' ARG . 9.0 m120 -73.23 97.54 2.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.219 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.18 89.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.904 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 m120 63.75 88.73 0.1 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.75 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -168.05 -61.3 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.267 -179.322 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.94 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 2.5 p90 -38.4 -47.45 1.25 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.791 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.94 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -122.55 -18.5 6.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.125 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.934 ' N ' HD13 ' A' ' 26' ' ' LEU . 22.1 m -58.21 -61.52 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.59 -46.64 89.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.455 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -44.17 97.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.186 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.36 -25.59 42.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.321 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.545 ' HD3' HG22 ' A' ' 27' ' ' THR . 18.5 mtp180 -60.77 -42.55 97.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.078 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -66.7 -41.03 88.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.132 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -75.42 -40.6 57.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.472 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.597 HD11 ' CH2' ' A' ' 48' ' ' TRP . 8.8 mt -64.01 -40.58 96.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.808 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.2 p -63.9 -51.69 63.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.7 m -68.44 -42.52 78.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.745 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.85 -52.39 20.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.848 -179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.82 -14.49 47.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.512 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.53 30.47 71.03 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.992 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 40' ' ' LEU . 12.8 mt -101.74 152.62 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.004 0.431 . . . . 0.0 111.206 -179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.483 HD22 ' HB3' ' A' ' 43' ' ' ALA . 50.1 t30 -87.16 151.23 23.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.535 178.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.21 -33.04 39.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.042 0.449 . . . . 0.0 110.371 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.483 ' HB3' HD22 ' A' ' 41' ' ' ASN . . . -62.67 -38.34 89.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.82 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -30.12 41.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.733 . . . . 0.0 109.4 178.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.524 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 0.9 OUTLIER -65.99 -38.84 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.96 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -54.17 -47.66 71.77 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.292 0.568 . . . . 0.0 109.654 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.98 -40.34 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.586 178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.597 ' CH2' HD11 ' A' ' 34' ' ' LEU . 10.2 t90 -55.38 -50.27 70.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.247 -1.342 . . . . 0.0 110.534 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.575 ' CZ ' HD12 ' A' ' 34' ' ' LEU . 23.8 m-85 -69.54 -44.19 71.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.167 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -64.09 -30.95 71.98 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.449 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -80.47 -40.08 26.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.66 -41.15 98.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -125.64 102.15 7.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -126.03 27.75 6.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.55 -60.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.6 mt 62.88 93.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -131.4 135.38 47.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 141.64 28.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.891 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.883 0.373 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.0 134.78 35.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -77.68 117.01 18.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.39 86.64 2.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -122.78 -175.83 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.82 113.46 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.686 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.16 116.32 21.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.283 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.3 m120 50.92 40.01 24.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.459 0.647 . . . . 0.0 111.566 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 mtm-85 -136.9 -47.41 0.6 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.276 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.776 ' CE2' HD23 ' A' ' 26' ' ' LEU . 2.3 p90 -46.81 -46.31 20.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.917 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.776 HD23 ' CE2' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -120.56 -26.28 5.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.824 -178.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 28' ' ' GLU . 8.7 m -44.16 -78.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.856 0.36 . . . . 0.0 111.919 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.439 ' N ' HG22 ' A' ' 27' ' ' THR . 4.6 mt-10 -57.06 -35.36 69.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.171 -179.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -65.94 -48.92 69.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.809 0.338 . . . . 0.0 111.476 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.598 ' HB2' HD12 ' A' ' 26' ' ' LEU . 5.0 mtt180 -80.31 -31.21 38.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.333 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -58.98 -39.12 80.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.122 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -70.75 -41.09 72.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -75.42 -37.89 60.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.328 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.14 -40.4 96.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 0.0 110.63 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.9 t -60.91 -53.37 58.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.561 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -68.75 -43.21 76.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.561 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.69 -50.68 41.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.741 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.68 -13.98 49.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.262 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.32 31.7 71.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.771 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.675 HD22 ' CB ' ' A' ' 44' ' ' GLN . 6.5 mt -101.79 155.58 18.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.12 0.486 . . . . 0.0 111.509 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.26 145.11 26.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.189 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -49.8 -32.5 14.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.149 0.499 . . . . 0.0 110.139 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.5 89.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.586 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.675 ' CB ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -77.53 -29.58 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.512 0.672 . . . . 0.0 109.555 178.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.538 ' HA ' ' HB3' ' A' ' 48' ' ' TRP . 1.1 mm -65.89 -39.21 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.038 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -49.72 72.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.211 0.529 . . . . 0.0 109.73 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -68.8 -40.27 81.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.836 0.827 . . . . 0.0 109.569 178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.538 ' HB3' ' HA ' ' A' ' 45' ' ' ILE . 9.6 t90 -55.24 -49.99 70.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.3 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.534 ' CD2' ' CE3' ' A' ' 48' ' ' TRP . 18.4 m-85 -69.44 -42.63 74.69 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.138 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -64.35 -31.17 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.432 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -73.84 -31.62 63.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.991 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -70.45 -31.15 68.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -30.69 70.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.15 28.89 6.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.186 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -83.91 -67.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.3 mt 57.06 101.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -64.95 125.41 24.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.62 136.86 54.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.866 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.745 0.307 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.31 142.04 51.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.2 ttt-85 -61.0 -30.57 70.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -145.79 166.8 24.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.009 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -58.94 -175.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.434 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 0.4 OUTLIER -80.5 126.29 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.578 179.554 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.15 107.35 19.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.412 ' C ' ' HB ' ' A' ' 27' ' ' THR . 1.3 m-80 62.65 38.9 11.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.573 0.701 . . . . 0.0 110.772 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 2.3 mmm180 -139.85 -45.17 0.43 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.6 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.482 ' CE2' ' HB3' ' A' ' 26' ' ' LEU . 6.2 p90 -53.9 -48.03 70.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.091 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.888 HD23 ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -124.58 -41.37 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.298 -178.514 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.888 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.3 m -41.95 -62.0 1.01 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.837 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -53.62 -49.37 68.0 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -65.7 -48.19 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.324 . . . . 0.0 111.518 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.58 -23.67 59.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.558 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' THR . 6.0 mtm180 -60.68 -42.87 97.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.92 -179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -67.71 -37.91 82.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -75.34 -43.99 47.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mt -64.3 -39.89 94.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.637 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.504 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.2 t -61.17 -49.52 76.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.599 179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 p -68.17 -38.49 82.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -70.2 -45.0 67.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.413 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.547 HD13 HD21 ' A' ' 40' ' ' LEU . 84.8 mt -84.89 -20.86 30.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.262 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.19 25.69 75.28 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.709 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.547 HD21 HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -107.06 163.68 12.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.077 0.465 . . . . 0.0 111.045 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -82.05 149.42 28.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.358 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 17.6 mt-10 -51.53 -28.97 15.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.115 0.483 . . . . 0.0 110.456 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.9 73.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -28.97 49.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.961 177.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.545 HG23 ' CD2' ' A' ' 49' ' ' PHE . 20.1 mm -65.51 -42.38 93.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.43 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -57.51 -45.87 84.46 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 47' ' ' ILE . 1.5 mm -68.67 -41.08 82.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.725 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.536 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 11.8 t90 -60.66 -50.5 73.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.85 -179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' CD2' HG23 ' A' ' 45' ' ' ILE . 23.0 m-85 -69.27 -42.58 75.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.264 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -66.15 -31.1 71.74 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.534 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -79.12 -42.51 26.09 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -29.4 70.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -91.96 17.4 9.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.425 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.61 26.9 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 0.0 111.371 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' C ' HD12 ' A' ' 56' ' ' ILE . 15.0 pttp -178.36 -41.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 55' ' ' LYS . 3.4 mp 55.72 101.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.249 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -107.13 111.41 23.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.3 -58.96 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.907 -179.983 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.813 0.34 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.26 102.89 10.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.47 -74.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -142.9 110.95 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 p90 -70.55 178.23 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.478 ' HB3' ' HB2' ' A' ' 24' ' ' ARG . 2.3 m-20 -86.55 132.92 33.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -88.89 95.79 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.501 ' C ' ' HB ' ' A' ' 27' ' ' THR . 12.2 m120 61.15 38.62 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.574 0.702 . . . . 0.0 110.971 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.478 ' HB2' ' HB3' ' A' ' 21' ' ' ASN . 17.5 mmt85 -129.26 -43.06 1.32 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.211 179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.983 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 1.8 p90 -49.01 -48.93 43.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.209 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.997 HD13 ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -125.65 -26.44 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.997 ' N ' HD13 ' A' ' 26' ' ' LEU . 1.2 m -61.71 -78.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 -179.57 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.662 ' N ' HG22 ' A' ' 27' ' ' THR . 5.8 mt-10 -61.81 -33.55 74.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.785 -179.664 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -48.91 69.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.398 -179.153 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' HE ' HD23 ' A' ' 26' ' ' LEU . 20.6 mtt-85 -80.35 -29.36 37.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.158 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' HG2' HG21 ' A' ' 45' ' ' ILE . 43.3 mtp180 -61.22 -41.57 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 111.06 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -46.09 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -75.36 -37.45 60.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.371 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.431 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 20.3 mt -64.24 -37.58 87.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.966 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.656 ' HA ' HD12 ' A' ' 40' ' ' LEU . 66.1 p -64.03 -53.48 49.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.941 0.4 . . . . 0.0 110.564 179.606 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.2 t -68.22 -38.42 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.323 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -65.15 -48.38 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.271 -179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -84.83 -20.16 31.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.232 -179.831 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.74 26.65 64.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.405 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -110.37 159.9 17.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.003 0.43 . . . . 0.0 110.899 179.874 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.808 ' ND2' ' HB3' ' A' ' 43' ' ' ALA . 0.7 OUTLIER -87.04 156.35 19.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.497 179.575 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.8 mp0 -51.34 -29.49 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.113 0.482 . . . . 0.0 110.952 -179.509 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.808 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . . . -58.57 -34.56 71.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.705 179.616 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -28.12 38.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.143 177.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 49' ' ' PHE . 27.3 mm -65.4 -39.47 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -57.84 -49.92 75.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.19 0.519 . . . . 0.0 109.857 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.78 -42.11 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.925 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 8.3 t90 -57.04 -50.18 73.53 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.473 -179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.598 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.3 m-85 -69.53 -42.63 74.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.335 179.449 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -66.21 -31.13 71.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.534 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -70.09 -42.49 72.67 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.23 -43.08 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.734 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -130.14 100.12 5.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -91.39 66.22 5.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.144 0.497 . . . . 0.0 111.176 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.79 41.52 21.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.964 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.3 mt 64.56 99.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm 60.93 179.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -111.89 -58.62 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.891 179.977 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.758 0.313 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -110.65 172.16 7.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -148.06 -62.28 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -127.06 146.59 50.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -141.34 -176.43 4.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.758 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.443 ' O ' ' CZ ' ' A' ' 25' ' ' TYR . 6.1 m-80 -82.95 92.11 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.66 107.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.055 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' HA ' ' OG1' ' A' ' 27' ' ' THR . 5.1 m120 55.39 84.95 0.07 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.419 0.628 . . . . 0.0 109.608 -178.504 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.1 -72.38 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.584 -178.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -43.2 -91.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.56 178.738 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.509 HD23 ' C ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -54.18 -31.51 53.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.744 178.825 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.503 ' N ' HD23 ' A' ' 26' ' ' LEU . 44.6 m -52.95 -87.73 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.66 -179.179 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' N ' HG22 ' A' ' 27' ' ' THR . 4.7 mm-40 -49.74 -35.56 22.58 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.141 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -68.57 -48.88 63.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.746 0.308 . . . . 0.0 111.583 -179.269 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -80.36 -23.76 40.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.675 -179.549 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.515 ' HG2' HG21 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -59.64 -41.86 91.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.832 0.349 . . . . 0.0 111.176 -179.516 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -42.0 84.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.133 -179.773 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -75.53 -38.49 59.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.551 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 6.4 mt -64.12 -39.93 95.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.739 0.304 . . . . 0.0 111.099 -179.658 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.528 ' HA ' HD12 ' A' ' 40' ' ' LEU . 91.2 p -61.49 -51.14 69.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.662 179.663 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.42 -38.4 81.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.679 -179.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -49.22 69.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 111.371 -179.296 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.586 HD22 HD21 ' A' ' 40' ' ' LEU . 1.5 mp -84.99 -20.11 31.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.222 -179.628 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.04 29.62 68.72 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.228 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.586 HD21 HD22 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -106.86 162.21 14.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.914 0.388 . . . . 0.0 110.757 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.44 151.61 23.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.54 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -51.89 -29.19 18.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 110.467 179.694 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.69 -34.79 71.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.606 179.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -79.82 -28.13 40.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.156 177.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.623 HG23 ' CD2' ' A' ' 49' ' ' PHE . 26.1 mm -65.61 -39.54 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.78 -49.76 75.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.233 0.54 . . . . 0.0 109.897 179.342 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -68.71 -41.47 82.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.878 178.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.559 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 8.1 t90 -58.55 -50.8 72.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.436 -179.48 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 45' ' ' ILE . 18.4 m-85 -69.92 -43.07 72.41 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.246 179.139 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.583 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 2.0 tt0 -65.96 -30.95 71.6 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.616 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -75.97 -31.31 58.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.818 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HD3' ' CZ3' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -70.02 -42.68 72.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.64 15.06 20.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.277 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 50' ' ' GLN . . . -82.89 -31.17 27.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.152 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.5 mtpp -108.75 -32.14 7.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.972 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.6 mt 64.04 97.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.81 112.05 13.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.798 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -151.24 135.93 17.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.794 0.331 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -85.05 99.33 10.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 155.16 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 20' ' ' PHE . 6.9 tt0 -152.32 71.98 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.997 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' A' ' 19' ' ' GLU . 9.4 p90 45.94 -172.12 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.617 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -59.85 100.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.213 179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.76 89.91 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.25 179.549 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 m120 61.96 73.26 0.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.421 0.629 . . . . 0.0 110.353 -179.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -159.68 -63.23 0.07 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.589 -179.19 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -56.27 -17.65 8.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.247 -179.917 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -136.69 -38.38 0.65 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.983 0.421 . . . . 0.0 111.3 -177.916 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.622 HG22 ' N ' ' A' ' 28' ' ' GLU . 2.5 m -47.93 -84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.511 -179.235 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.622 ' N ' HG22 ' A' ' 27' ' ' THR . 12.2 mt-10 -62.06 -35.17 77.81 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.332 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -67.49 -49.02 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -23.73 40.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.455 -179.762 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -58.94 -39.66 82.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -46.92 76.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.252 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -75.32 -36.99 60.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.39 -179.582 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.543 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 14.7 mt -64.13 -37.74 88.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.006 -179.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.412 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -64.97 -53.74 41.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.7 179.815 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 p -68.66 -38.32 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.531 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -65.45 -45.5 83.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.773 -179.034 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.502 HD22 HD21 ' A' ' 40' ' ' LEU . 6.7 mp -84.88 -20.46 30.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.354 -179.492 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.47 17.31 79.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.854 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.502 HD21 HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -101.85 161.48 13.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.635 179.71 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.67 153.22 21.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.636 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 3.5 mp0 -49.8 -29.18 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.107 0.48 . . . . 0.0 110.375 179.651 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.49 72.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.569 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -79.92 -27.87 39.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.163 177.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.585 HG23 ' CD1' ' A' ' 49' ' ' PHE . 24.5 mm -65.61 -39.36 84.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.763 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.9 -50.8 71.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.32 0.581 . . . . 0.0 109.85 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -42.9 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.022 178.817 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.558 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.7 t90 -55.32 -50.16 70.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.654 -1.157 . . . . 0.0 110.316 -179.534 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CD1' HG23 ' A' ' 45' ' ' ILE . 17.9 m-85 -69.39 -42.48 75.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.06 179.328 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.99 -31.11 71.45 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.563 179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.91 -36.71 56.44 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.744 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.406 ' HD2' ' CH2' ' A' ' 48' ' ' TRP . 10.6 tttp -72.33 -33.77 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.414 HH22 HD21 ' A' ' 26' ' ' LEU . 1.8 mmp_? -69.79 -28.76 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.38 -19.38 63.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.39 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.04 62.9 7.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.944 0.402 . . . . 0.0 111.013 -179.873 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.2 mt -139.24 87.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 94.0 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -134.29 -55.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -166.16 140.98 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.23 -79.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.993 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -70.0 131.94 45.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.623 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -114.53 175.02 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.198 0.523 . . . . 0.0 111.359 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.09 32.29 4.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.935 179.117 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -101.49 -27.78 12.93 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.804 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 18.9 m120 -155.45 94.95 1.64 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.373 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 176.39 -71.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.295 179.816 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.938 ' CZ ' HD12 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -36.38 -42.94 0.35 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.684 -1.144 . . . . 0.0 111.356 178.399 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.938 HD12 ' CZ ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -120.43 -18.13 7.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.422 -179.246 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.933 ' N ' HD13 ' A' ' 26' ' ' LEU . 5.5 m -53.64 -80.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.476 -179.295 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 27' ' ' THR . 2.5 mt-10 -56.4 -35.44 67.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.025 -179.243 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -63.98 -48.97 74.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.371 . . . . 0.0 110.936 -179.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtt-85 -80.53 -23.37 40.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.288 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.646 ' HG2' HG21 ' A' ' 45' ' ' ILE . 3.8 mtp180 -58.06 -42.31 85.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.904 0.383 . . . . 0.0 111.111 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -44.95 92.61 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.175 -179.685 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -75.62 -40.63 56.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.854 -179.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.675 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 7.4 mt -64.02 -40.76 97.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.627 0.251 . . . . 0.0 111.457 -179.177 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.61 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -63.07 -46.5 87.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.897 0.379 . . . . 0.0 110.735 179.916 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.5 t -68.37 -45.9 71.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.755 -179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.07 -44.96 90.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.782 0.325 . . . . 0.0 111.457 -179.238 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.695 HD23 HD21 ' A' ' 40' ' ' LEU . 8.9 mp -84.95 -18.48 34.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.339 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.73 30.2 70.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.24 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.695 HD21 HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -113.29 158.51 20.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.84 155.9 20.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.531 179.635 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.426 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 2.4 mt-10 -50.49 -29.17 9.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.118 0.485 . . . . 0.0 110.51 179.676 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.81 -35.81 73.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.676 179.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -79.56 -28.05 41.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.204 177.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.735 HG23 ' CD1' ' A' ' 49' ' ' PHE . 23.4 mm -65.71 -39.41 84.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.679 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -58.23 -50.08 74.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.189 0.519 . . . . 0.0 109.996 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -68.87 -43.77 82.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.054 178.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.592 ' CE3' ' CD1' ' A' ' 49' ' ' PHE . 7.2 t90 -58.12 -50.37 73.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.422 -179.603 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.735 ' CD1' HG23 ' A' ' 45' ' ' ILE . 18.2 m-85 -69.5 -42.73 74.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.265 179.402 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -31.19 72.27 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.294 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -72.91 -33.85 66.26 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.739 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -70.07 -44.48 69.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.41 100.75 6.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.781 179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.55 -65.85 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -138.93 82.82 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.5 mt -133.95 83.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.2 tttm 60.67 157.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -78.3 112.74 15.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.326 -0.845 . . . . 0.0 110.953 -179.946 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.903 0.382 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -135.72 142.93 45.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.802 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mtm-85 -144.56 153.59 41.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.86 173.77 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 5.0 p90 -170.23 170.02 7.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.34 33.76 4.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.511 0.672 . . . . 0.0 110.503 179.644 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.456 ' HA ' ' CE1' ' A' ' 25' ' ' TYR . 5.2 pt-20 -128.88 4.74 5.41 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.458 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.468 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 3.2 m120 -148.82 34.04 0.76 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.458 0.647 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -146.21 -62.41 0.31 Allowed 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.404 -179.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -51.04 -19.52 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.861 179.539 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.714 HD23 ' N ' ' A' ' 27' ' ' THR . 0.0 OUTLIER -135.33 -28.79 1.12 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.676 -178.049 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.714 ' N ' HD23 ' A' ' 26' ' ' LEU . 1.4 m -47.96 -79.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.728 0.299 . . . . 0.0 111.791 -178.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.635 ' N ' HG22 ' A' ' 27' ' ' THR . 38.0 mt-10 -57.93 -40.43 80.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.852 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -63.91 -48.49 76.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.971 0.415 . . . . 0.0 111.187 -179.33 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -79.8 -23.58 42.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.523 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.492 ' HG2' HG21 ' A' ' 45' ' ' ILE . 1.6 mtm180 -60.26 -41.93 94.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.076 -179.54 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -63.5 -44.6 93.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -179.485 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -75.41 -40.4 57.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.559 -179.518 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.556 HD12 ' HZ ' ' A' ' 49' ' ' PHE . 11.0 mt -64.16 -40.67 96.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.087 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.614 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -66.77 -49.91 64.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.71 179.81 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.28 -41.43 81.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.302 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.5 -46.59 79.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.452 -179.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 34' ' ' LEU . 3.1 mt -84.82 -18.86 33.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.307 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.44 30.83 63.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.235 -179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 35' ' ' SER . 0.5 OUTLIER -114.47 158.77 21.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.931 0.396 . . . . 0.0 110.891 179.906 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.08 155.85 20.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.654 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 45' ' ' ILE . 19.3 mp0 -52.36 -29.31 23.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.46 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.85 -36.05 73.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.615 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -79.15 -27.82 42.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.224 177.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.597 HG23 ' CD2' ' A' ' 49' ' ' PHE . 20.8 mm -65.49 -39.36 84.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -57.51 -50.77 71.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.197 0.522 . . . . 0.0 109.852 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.88 -43.06 82.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.99 178.852 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.562 ' CE3' ' CD2' ' A' ' 49' ' ' PHE . 6.8 t90 -55.31 -50.26 70.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.118 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.597 ' CD2' HG23 ' A' ' 45' ' ' ILE . 16.0 m-85 -69.62 -42.61 74.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.772 179.093 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -31.2 70.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.461 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.27 -37.61 66.24 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -69.49 -39.11 77.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.965 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' O ' HD11 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -59.47 -30.2 68.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 -179.924 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.08 -39.05 34.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -62.27 -73.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.416 HD11 ' O ' ' A' ' 53' ' ' ARG . 27.3 mt 58.56 102.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.183 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.6 179.51 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt 62.1 97.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.894 -179.976 . . . . . . . . 0 0 . 1 stop_ save_