data_5nvp_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 5nvp _Structure_validation_residue.Date_analyzed 2017-12-01 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 ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.041 -0.824 . . . . 53.3 111.041 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.83 67.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 73.45 109.281 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -42.12 86.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 71.31 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.429 ' CD2' ' C ' ' A' ' 6' ' ' PHE . 6.6 t80 -68.18 -45.32 73.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 75.33 110.963 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -55.24 -41.75 72.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 72.21 109.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.95 -15.93 78.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.511 1.132 . . . . 64.43 111.004 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -32.45 57.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.345 0.674 . . . . 65.2 110.966 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.21 -29.13 68.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 73.04 109.335 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.22 -36.68 89.81 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.482 1.114 . . . . 73.43 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.42 -9.1 53.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 0.726 . . . . 63.42 109.265 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 64.41 109.327 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.31 -0.626 . . . . 72.25 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -77.32 -24.67 50.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 72.32 110.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.553 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 8.4 tt -60.88 -47.7 85.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 74.24 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -79.89 -17.68 52.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 72.55 109.351 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -73.52 -43.37 60.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 74.2 109.315 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.553 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.7 p-90 -84.24 -43.83 14.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.988 -1.115 . . . . 75.34 107.988 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.461 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -63.4 -24.71 67.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 70.01 109.344 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -51.27 -24.95 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 61.42 110.01 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -39.52 63.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 73.53 109.343 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 m95 . . . . . 0 C--N 1.326 -0.446 0 N-CA-C 108.023 -1.103 . . . . 74.03 108.023 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.056 -0.818 . . . . 61.12 111.056 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.49 -30.42 62.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 73.2 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.35 -44.64 74.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 71.12 109.312 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -64.48 -43.8 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 71.22 110.963 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.35 -47.57 78.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 75.4 109.272 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.93 -18.22 70.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.462 1.101 . . . . 64.21 111.017 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.17 -27.05 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 75.01 111.034 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.42 -16.27 34.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 75.34 109.332 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.54 -33.39 76.58 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 62.01 111.035 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.12 -14.13 39.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 0.716 . . . . 73.45 109.344 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 73.31 109.262 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.287 -0.635 . . . . 75.21 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.93 -24.29 48.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 64.21 110.262 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.559 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -59.03 -49.07 79.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 73.23 109.242 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 32' ' ' SER . 35.2 t0 -79.21 -21.35 46.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 74.25 109.368 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -41.29 77.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 74.51 109.284 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.1 p-90 -85.83 -50.28 7.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 74.01 107.954 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.52 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.23 -23.18 46.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 71.23 109.246 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -54.39 -27.86 39.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 72.43 110.001 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -49.93 -34.64 21.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 73.14 109.296 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.533 ' CD1' HD22 ' A' ' 33' ' ' LEU . 54.5 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 75.21 108.021 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 63.42 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.53 -34.98 74.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 43.13 109.281 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.3 -38.36 84.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.23 109.285 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -67.71 -52.02 42.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 75.11 110.998 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.6 -38.43 87.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 74.34 109.302 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.84 -14.36 80.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 75.21 111.03 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -74.21 -38.0 63.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 73.55 110.999 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' ALA . 20.5 mt -62.93 -34.67 77.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 75.03 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.49 -27.79 13.01 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.127 . . . . 75.23 110.991 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.82 -26.19 25.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.796 . . . . 71.11 109.342 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 71.41 109.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.338 -0.616 . . . . 72.12 109.338 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.97 -24.75 52.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 74.34 110.299 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.555 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.2 tt -59.57 -49.0 79.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 74.1 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.25 -17.05 55.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 63.21 109.313 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -73.62 -41.89 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 73.43 109.331 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.4 p-90 -85.71 -40.96 15.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 74.4 107.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.38 -20.12 65.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 71.34 109.357 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -27.19 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 74.51 109.946 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.506 HD22 ' CD2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -47.98 -41.08 24.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 74.4 109.331 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.506 ' CD2' HD22 ' A' ' 33' ' ' LEU . 68.0 m95 . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 74.44 107.993 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.02 -0.832 . . . . 74.22 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.43 -27.41 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 0.733 . . . . 73.15 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 tp -72.26 -34.87 68.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.428 1.08 . . . . 74.22 109.34 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.503 ' CD2' ' C ' ' A' ' 6' ' ' PHE . 1.9 t80 -74.05 -41.39 61.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.22 110.958 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.99 -41.94 99.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 73.31 109.305 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.76 -13.65 69.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.148 . . . . 74.24 110.99 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.84 -34.46 30.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 74.13 111.006 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.7 mt -56.42 -21.85 27.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 71.21 109.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.85 -36.8 88.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 55.23 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.67 -14.97 55.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 74.04 109.317 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 54.5 109.347 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.297 -0.631 . . . . 73.41 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.81 -24.38 48.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.594 1.184 . . . . 63.24 110.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.563 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.0 tt -60.09 -44.36 94.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 65.12 109.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -22.28 35.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 74.52 109.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -41.75 78.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 75.32 109.362 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.0 p-90 -85.66 -45.81 11.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 64.24 107.964 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -59.14 -19.03 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 72.03 109.259 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -60.68 -23.14 64.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 70.13 109.924 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -48.11 -39.79 21.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 72.32 109.306 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.471 ' CD2' HD21 ' A' ' 33' ' ' LEU . 57.8 m95 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 74.23 107.963 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.949 -0.86 . . . . 74.41 110.949 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.39 75.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 75.44 109.345 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -73.32 -33.72 65.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 72.21 109.286 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -69.03 -46.3 68.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 71.21 111.049 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.78 -34.87 70.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 72.34 109.271 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.65 -12.86 81.05 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.549 1.156 . . . . 74.14 111.04 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -31.47 54.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 75.23 110.971 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 66.5 mt -57.05 -28.75 62.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 73.42 109.356 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.29 -34.19 83.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 75.42 110.986 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.39 4.81 44.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 72.04 109.321 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 70.35 109.281 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.636 . . . . 75.34 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -24.17 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 72.31 110.36 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.6 tt -58.09 -44.17 87.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 75.13 109.307 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -81.68 -24.19 36.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 61.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -66.55 -42.2 87.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 71.52 109.246 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.1 p-90 -85.61 -48.44 8.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.007 -1.109 . . . . 73.33 108.007 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.508 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -59.17 -21.21 59.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 63.32 109.336 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -55.37 -25.82 37.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 71.43 109.995 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -48.43 -24.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 73.34 109.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.403 ' N ' ' C ' ' A' ' 32' ' ' SER . 56.4 m95 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 74.33 108.023 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.966 -0.853 . . . . 64.13 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.22 69.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 75.25 109.261 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -42.67 81.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 73.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -72.72 -35.31 67.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 75.13 110.997 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.35 -49.95 71.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 73.4 109.25 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.7 -10.82 51.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 72.23 110.932 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -30.8 48.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 72.31 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 mt -58.18 -24.62 59.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 72.21 109.262 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.78 -39.72 47.72 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.479 1.112 . . . . 73.55 110.99 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.62 -24.36 49.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 0.823 . . . . 72.41 109.304 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 73.13 109.314 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.309 -0.626 . . . . 73.43 109.309 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.69 -24.24 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 70.45 110.333 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -59.2 -48.99 79.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 72.5 109.375 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.86 -17.67 52.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 75.53 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -40.83 64.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 71.23 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.566 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.8 p-90 -85.67 -44.79 12.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 73.13 108.001 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.421 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -54.75 -25.07 25.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.383 1.052 . . . . 72.34 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 34' ' ' TRP . 3.2 m -55.8 -33.51 64.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 74.01 109.972 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.478 HD21 ' CD2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -47.39 -25.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 75.01 109.25 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.478 ' CD2' HD21 ' A' ' 33' ' ' LEU . 59.5 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 74.21 107.99 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.016 -0.834 . . . . 62.4 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.43 -30.23 69.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 74.03 109.326 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.11 -35.91 71.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 73.22 109.279 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -72.9 -43.56 62.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 72.24 111.027 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.34 -44.2 97.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 72.02 109.323 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.47 -16.12 64.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 34.2 111.027 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -38.92 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 72.22 111.022 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.14 -29.23 69.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 71.34 109.313 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.09 -32.78 36.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.569 1.168 . . . . 75.23 110.973 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.35 -21.89 33.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 74.44 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 74.34 109.29 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.283 -0.636 . . . . 74.24 109.283 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.2 -24.28 47.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 74.5 110.25 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.565 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -58.81 -49.72 76.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 73.12 109.314 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.13 -17.26 55.39 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 75.24 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -73.32 -40.98 64.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.22 109.325 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 9.5 p-90 -85.74 -46.31 10.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 74.42 108.094 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -56.25 -19.37 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 65.44 109.282 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -56.23 -31.52 63.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 75.5 110.032 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.488 HD21 ' CD2' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -47.82 -30.52 4.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.48 1.113 . . . . 73.42 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.488 ' CD2' HD21 ' A' ' 33' ' ' LEU . 43.4 m95 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 107.975 -1.12 . . . . 75.51 107.975 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.007 -0.837 . . . . 73.44 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.4 -34.28 76.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 73.31 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -35.03 63.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 74.43 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -69.66 -41.51 75.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 75.23 111.002 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.58 -44.03 91.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 71.22 109.329 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.58 -12.74 64.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 60.53 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -34.22 50.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 0.813 . . . . 70.31 111.002 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.69 -19.94 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.52 109.345 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.09 86.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.126 . . . . 70.32 110.944 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.48 -10.02 55.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 63.33 109.298 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 73.24 109.294 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.263 -0.643 . . . . 75.02 109.263 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 -24.11 47.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 74.3 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -56.77 -49.73 74.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 72.32 109.304 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 32' ' ' SER . 4.8 t0 -78.22 -32.13 49.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 73.35 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -56.69 -44.02 81.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 74.42 109.312 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 5.7 p-90 -80.52 -49.25 11.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 74.35 107.988 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.555 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.65 -19.38 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 75.24 109.258 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -56.99 -30.59 64.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.458 1.099 . . . . 62.43 109.969 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.11 -27.26 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 73.5 109.325 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.6 m95 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 73.25 107.992 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.999 -0.84 . . . . 72.41 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.31 77.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 0.733 . . . . 72.25 109.367 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.69 -32.9 70.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 73.35 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -71.21 -48.57 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 72.55 110.983 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -44.28 91.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.186 . . . . 73.34 109.305 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.61 -13.28 71.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 75.25 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -28.8 36.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 75.54 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.75 -27.5 68.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 73.42 109.345 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.0 -35.77 77.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.108 . . . . 63.1 110.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.87 -13.49 56.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 73.11 109.298 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 72.3 109.325 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.309 -0.626 . . . . 72.15 109.309 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -24.71 47.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 73.02 110.298 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.565 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 4.1 tt -59.92 -42.21 93.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 73.1 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -83.32 -33.17 25.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 75.42 109.325 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.65 -40.56 83.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 74.13 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.9 p-90 -85.95 -51.81 6.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.041 -1.096 . . . . 74.31 108.041 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.594 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.25 -19.77 9.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 74.51 109.255 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -54.95 -30.05 57.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 73.11 110.055 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -46.23 -34.99 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 72.12 109.328 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.452 ' CD2' HD23 ' A' ' 33' ' ' LEU . 61.6 m95 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.951 -1.129 . . . . 74.23 107.951 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.844 . . . . 74.04 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.63 -19.24 63.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 74.12 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -48.34 63.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 50.34 109.27 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.37 -45.84 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 70.01 110.999 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.6 -39.31 93.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 73.22 109.264 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.96 -14.38 80.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 63.11 111.042 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -74.66 -41.18 60.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 0.776 . . . . 75.25 111.024 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -60.86 -26.67 67.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 64.44 109.297 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.34 -28.0 54.21 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.461 1.1 . . . . 53.42 111.006 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.83 -25.51 37.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.799 . . . . 51.33 109.287 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 74.41 109.312 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.347 -0.612 . . . . 71.12 109.347 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.61 -24.87 49.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 70.34 110.28 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.569 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 4.0 tt -59.66 -42.46 92.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 54.21 109.244 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' SER . 47.0 t0 -83.24 -33.32 26.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 74.43 109.286 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.55 -40.63 83.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 70.54 109.267 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.598 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.9 p-90 -85.83 -51.9 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 74.22 108.018 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.598 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.14 -19.8 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 63.45 109.294 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' ASP . 4.8 t -55.28 -32.51 62.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 71.54 110.071 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.406 HD22 ' CG ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -47.86 -34.92 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 73.11 109.269 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.406 ' CG ' HD22 ' A' ' 33' ' ' LEU . 49.9 m95 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.98 -1.119 . . . . 72.41 107.98 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.028 -0.829 . . . . 64.53 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.11 -29.26 70.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 73.52 109.327 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -75.19 -36.22 61.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 70.25 109.29 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -68.71 -45.83 70.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 74.44 111.016 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.12 -42.47 96.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 73.42 109.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.58 -16.1 69.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 62.11 110.975 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -35.63 53.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 0.761 . . . . 73.11 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.17 -17.39 40.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 72.32 109.247 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.82 -31.26 79.19 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.457 1.098 . . . . 73.21 110.974 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.56 -4.17 58.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 72.12 109.356 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 74.42 109.337 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.309 -0.626 . . . . 73.41 109.309 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.19 -24.15 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 71.5 110.325 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -57.8 -49.73 75.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 75.52 109.267 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.95 -16.5 56.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 72.04 109.3 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -41.03 63.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 75.24 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 11.3 p-90 -85.86 -44.93 12.03 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.984 -1.117 . . . . 74.42 107.984 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.409 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -56.06 -21.99 24.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 54.03 109.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.83 -29.44 59.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 71.25 109.964 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.465 HD22 ' CG ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -46.29 -28.42 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 75.23 109.252 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.465 ' CG ' HD22 ' A' ' 33' ' ' LEU . 44.2 m95 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 74.41 108.023 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.003 -0.839 . . . . 62.24 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.77 -26.21 57.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 63.24 109.269 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -72.71 -41.87 64.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 72.11 109.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.422 ' CD2' ' C ' ' A' ' 6' ' ' PHE . 3.9 t80 -65.28 -44.17 88.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 64.51 111.033 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.67 -44.18 85.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 70.43 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.35 -11.06 64.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 71.22 110.999 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.04 -17.4 46.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 75.43 110.977 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.75 -15.89 63.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 74.44 109.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.26 -29.72 69.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 71.14 110.994 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.57 -22.58 28.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 72.13 109.27 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 73.1 109.32 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.321 -0.622 . . . . 74.25 109.321 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG2' ' CD ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -78.27 -24.15 46.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 74.31 110.315 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.575 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.4 tt -62.24 -40.98 97.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 74.32 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -83.32 -33.69 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 71.1 109.272 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' CD ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -58.87 -47.68 84.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 75.44 109.318 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.59 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.1 p-90 -76.73 -50.93 12.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 74.53 108.029 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.59 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.23 -19.69 8.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 74.13 109.351 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.9 OUTLIER -52.27 -26.17 11.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 73.23 109.979 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -50.52 -36.57 34.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 73.54 109.354 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.452 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 77.6 m95 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 75.25 108.024 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.977 -0.849 . . . . 54.44 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.34 -19.3 45.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 0.771 . . . . 70.32 109.301 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.95 -39.24 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.1 109.359 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -72.59 -38.44 67.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 74.11 111.028 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.09 -49.58 76.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 73.42 109.322 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.83 -19.44 63.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.435 1.085 . . . . 75.24 111.034 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -28.82 52.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 73.1 110.94 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.8 mt -62.47 -28.37 69.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.32 109.335 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.2 -29.52 59.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 72.21 110.972 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.4 -19.37 31.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 73.01 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 70.44 109.347 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.374 -0.602 . . . . 75.21 109.374 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.6 -24.18 49.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 73.42 110.336 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -59.02 -49.58 77.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 74.53 109.267 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -16.76 55.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 75.2 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -40.93 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 75.22 109.281 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.8 p-90 -85.6 -44.17 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 75.44 108.035 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.69 -23.9 54.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 63.31 109.286 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -54.82 -23.04 16.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 71.11 110.062 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -51.24 -32.04 22.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 75.42 109.264 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.442 ' CD2' HD22 ' A' ' 33' ' ' LEU . 66.1 m95 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 74.13 108.032 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 N-CA-C 110.966 -0.854 . . . . 72.11 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.91 -32.85 74.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 0.816 . . . . 64.24 109.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.24 -48.16 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 73.13 109.325 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.449 ' CE2' HD22 ' A' ' 10' ' ' LEU . 19.4 t80 -55.17 -36.34 65.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 75.22 111.009 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.25 -42.22 99.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 72.42 109.316 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.57 -14.63 82.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 74.44 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.63 -27.78 51.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 75.42 111.047 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.449 HD22 ' CE2' ' A' ' 6' ' ' PHE . 9.0 mt -64.13 -14.82 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 75.52 109.341 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.41 -32.41 81.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 75.2 111.029 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.5 1.32 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 53.44 109.293 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.524 1.14 . . . . 70.21 109.255 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.289 -0.634 . . . . 75.14 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.27 -24.1 46.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 71.42 110.266 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -50.4 -48.51 55.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 73.35 109.267 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' SER . 7.0 t0 -79.66 -34.7 40.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 70.03 109.312 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -38.49 63.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.24 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 5.0 p-90 -85.75 -47.68 9.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 73.22 108.044 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.569 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.69 -19.38 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 75.3 109.284 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' ASP . 9.0 p -57.5 -31.29 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 74.34 110.02 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -47.11 -28.96 1.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.445 1.091 . . . . 73.12 109.273 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.43 ' CD2' HD22 ' A' ' 33' ' ' LEU . 46.2 m95 . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 74.05 108.014 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 73.13 111.023 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.76 80.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 0.781 . . . . 74.23 109.28 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -33.62 60.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 64.33 109.303 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.54 -49.86 75.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 74.43 110.967 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -54.17 -44.87 71.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 75.34 109.243 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.02 -17.77 72.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 63.14 111.005 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -32.08 57.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 72.45 111.002 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.4 mt -63.95 -16.71 62.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 73.2 109.259 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.06 -37.28 94.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.525 1.141 . . . . 62.41 111.052 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.59 -21.07 52.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.776 . . . . 71.44 109.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 74.35 109.32 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.245 -0.65 . . . . 75.43 109.245 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -78.18 -23.82 47.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 73.4 110.336 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 1.6 tm? -62.46 -48.79 78.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 74.42 109.266 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -78.1 -18.59 55.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 73.34 109.359 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -73.83 -43.49 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 75.51 109.315 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.547 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 5.7 p-90 -85.78 -55.44 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.025 -1.102 . . . . 73.32 108.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.547 ' N ' ' CG ' ' A' ' 30' ' ' TRP . . . -53.72 -20.83 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 51.13 109.269 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -51.6 -35.33 41.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 63.24 110.004 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.509 HD21 ' CD2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.56 -37.35 7.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 74.11 109.278 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.509 ' CD2' HD21 ' A' ' 33' ' ' LEU . 52.9 m95 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 75.3 108.04 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.027 -0.829 . . . . 55.51 111.027 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.7 65.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 73.42 109.286 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -45.37 66.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 73.34 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -72.82 -40.98 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 65.12 110.993 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.26 -37.27 83.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.3 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.93 -9.1 75.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.412 1.07 . . . . 65.44 110.977 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -81.5 -39.25 25.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.797 . . . . 71.25 111.028 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 mt -57.28 -29.72 64.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 73.4 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.2 -35.05 63.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.155 . . . . 73.24 110.964 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.16 -14.49 58.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 72.12 109.274 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 74.4 109.289 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.6 tp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.282 -0.636 . . . . 74.15 109.282 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.19 -23.99 47.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 74.23 110.265 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.51 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 1.6 tm? -62.28 -48.87 78.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 72.1 109.322 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 32' ' ' SER . 4.5 m-20 -78.17 -18.57 55.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.05 109.336 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -43.45 58.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.23 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.551 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 5.9 p-90 -85.95 -55.33 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.012 -1.107 . . . . 75.52 108.012 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 30' ' ' TRP . . . -53.75 -20.8 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 74.41 109.301 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -51.45 -35.29 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 73.5 110.036 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' CD2' ' N ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.68 -43.16 17.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 74.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.412 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 64.3 m95 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 73.53 108.006 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.007 -0.837 . . . . 71.22 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.36 -32.21 66.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 75.14 109.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -48.47 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 75.1 109.31 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -56.54 -38.05 71.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 71.31 111.077 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.69 -38.55 87.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 73.51 109.278 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.93 -17.87 77.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 72.25 111.005 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -78.55 -14.6 59.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 74.54 111.037 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.15 -22.04 65.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 72.01 109.345 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.02 -41.3 97.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 71.23 110.987 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.05 4.86 36.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 75.11 109.286 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 75.22 109.288 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.29 -0.633 . . . . 70.25 109.29 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HG2' ' CD ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -67.87 -27.09 66.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 73.43 110.303 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.586 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.1 tt -59.84 -43.51 94.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 74.43 109.324 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' SER . 28.1 t70 -83.4 -33.01 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 62.52 109.3 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' CD ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -59.75 -40.16 87.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 70.52 109.282 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.606 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 1.7 p-90 -85.87 -49.92 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 75.42 108.029 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.606 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.71 -19.06 24.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 73.33 109.339 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -56.08 -26.77 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 53.43 110.011 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -40.32 47.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 73.22 109.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 79.8 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 75.43 108.016 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.04 -0.824 . . . . 72.41 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.43 -20.23 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 0.802 . . . . 64.14 109.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -78.8 -32.85 46.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 75.53 109.269 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.62 ' CD2' ' C ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -74.94 -35.49 62.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.195 . . . . 74.33 111.055 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.571 HD22 ' CD1' ' A' ' 6' ' ' PHE . 2.4 mm? -53.3 -52.62 58.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.11 109.338 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.38 -19.34 62.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.57 1.169 . . . . 64.42 110.964 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.21 -24.99 51.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 75.02 111.013 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.74 -25.63 19.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 75.04 109.336 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.61 95.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.44 1.088 . . . . 73.02 111.031 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.98 -12.78 52.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 72.23 109.339 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 74.32 109.276 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.277 -0.638 . . . . 74.22 109.277 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -77.34 -24.24 50.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 74.2 110.301 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 1.4 tt -61.92 -46.76 87.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 72.14 109.3 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.83 -18.19 51.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 75.41 109.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -73.43 -44.0 59.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 74.35 109.268 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.9 p-90 -84.05 -47.91 10.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.932 -1.136 . . . . 75.23 107.932 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.514 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -58.53 -21.83 53.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 71.52 109.312 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -56.16 -22.29 27.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 71.12 110.007 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -53.24 -34.8 58.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 73.24 109.322 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.5 ' CD1' HD23 ' A' ' 33' ' ' LEU . 55.9 m95 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 75.41 107.999 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 110.967 -0.853 . . . . 71.1 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.79 -28.23 65.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 75.22 109.28 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -38.66 71.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 75.05 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CD2' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -74.94 -41.6 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 75.42 111.028 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.578 HD12 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -52.38 -52.47 53.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.13 109.328 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.03 -19.95 66.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.57 1.169 . . . . 75.04 110.987 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.3 -14.49 58.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 71.03 110.984 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 6' ' ' PHE . 86.8 mt -67.91 -20.9 65.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 74.13 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.48 -38.11 93.08 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.539 1.149 . . . . 70.03 110.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.1 6.5 36.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.79 . . . . 74.5 109.182 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.444 1.09 . . . . 63.13 109.355 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.284 -0.635 . . . . 74.35 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -77.6 -24.74 49.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.422 1.076 . . . . 71.31 110.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.562 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 7.7 tt -60.72 -46.15 91.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 61.5 109.316 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -80.53 -20.03 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.34 109.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -70.98 -43.95 66.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 65.24 109.288 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.1 p-90 -83.55 -46.45 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.2 107.999 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.492 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -58.19 -19.78 36.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 74.2 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -27.14 42.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 74.5 110.012 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -34.51 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 74.12 109.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.5 m95 . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 107.985 -1.117 . . . . 72.35 107.985 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.974 -0.851 . . . . 74.42 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.35 -24.03 59.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 62.34 109.251 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.83 -45.57 70.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.41 109.299 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD1' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -74.87 -41.68 59.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.581 1.176 . . . . 75.5 110.981 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.567 HD12 ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -52.37 -49.7 63.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 74.13 109.354 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.11 -17.6 59.21 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 63.23 110.946 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.63 -21.44 38.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.779 . . . . 73.33 110.99 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -68.0 -22.31 65.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 60.52 109.288 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.19 -39.79 92.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.423 1.077 . . . . 71.41 110.99 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.35 -25.83 51.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 0.78 . . . . 65.02 109.277 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 71.03 109.282 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.273 -0.64 . . . . 72.32 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -24.94 52.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 74.41 110.263 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.4 tt -60.39 -46.93 88.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 65.33 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -80.2 -20.32 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 71.35 109.317 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -42.76 70.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 71.53 109.373 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.9 p-90 -84.99 -45.37 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 71.53 108.026 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -59.48 -20.86 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 71.31 109.269 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.94 -26.68 60.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 75.32 109.95 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.492 HD21 ' CD2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -52.29 -33.31 41.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 72.12 109.355 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.492 ' CD2' HD21 ' A' ' 33' ' ' LEU . 62.2 m95 . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 107.978 -1.119 . . . . 75.44 107.978 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.024 -0.83 . . . . 43.05 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.03 -31.68 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 74.44 109.215 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.7 -33.43 47.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 53.3 111.041 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.83 67.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 73.45 109.281 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -42.12 86.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 71.31 109.297 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.429 ' CD2' ' C ' ' A' ' 6' ' ' PHE . 6.6 t80 -68.18 -45.32 73.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 75.33 110.963 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -55.24 -41.75 72.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 72.21 109.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.95 -15.93 78.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.511 1.132 . . . . 64.43 111.004 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -32.45 57.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.345 0.674 . . . . 65.2 110.966 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.8 mt -60.21 -29.13 68.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 73.04 109.335 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.22 -36.68 89.81 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.482 1.114 . . . . 73.43 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.42 -9.1 53.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 0.726 . . . . 63.42 109.265 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.39 -13.42 60.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 64.41 109.327 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.56 -27.3 73.89 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.484 1.115 . . . . 72.44 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.18 32.57 2.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 54.44 109.941 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 2.9 ttmp? -51.2 -55.58 17.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 71.5 109.337 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 73.23 109.312 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.332 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.295 -0.631 . . . . 74.23 109.295 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -111.71 141.65 45.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 62.14 109.314 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -15.41 39.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 63.21 110.235 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.407 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -55.8 -28.49 56.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 63.43 110.276 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -67.33 -27.95 67.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 72.51 110.29 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' HD21 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -43.74 -28.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 64.12 109.38 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.04 -48.76 11.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.551 1.157 . . . . 72.25 109.31 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -77.32 -24.67 50.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 72.32 110.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.553 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 8.4 tt -60.88 -47.7 85.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 74.24 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -79.89 -17.68 52.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 72.55 109.351 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -73.52 -43.37 60.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 74.2 109.315 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.553 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.7 p-90 -84.24 -43.83 14.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.988 -1.115 . . . . 75.34 107.988 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.461 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -63.4 -24.71 67.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 70.01 109.344 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -51.27 -24.95 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 61.42 110.01 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -39.52 63.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 73.53 109.343 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 63.7 m95 -50.58 -56.65 10.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.023 -1.103 . . . . 74.03 108.023 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 73.01 109.337 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 110.979 -0.848 . . . . 75.34 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -25.86 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 74.15 109.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.61 -40.11 69.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.445 1.09 . . . . 61.12 111.056 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.49 -30.42 62.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 73.2 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.35 -44.64 74.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 71.12 109.312 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -64.48 -43.8 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 71.22 110.963 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -56.35 -47.57 78.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 75.4 109.272 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.93 -18.22 70.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.462 1.101 . . . . 64.21 111.017 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.17 -27.05 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 75.01 111.034 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -60.42 -16.27 34.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 75.34 109.332 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.54 -33.39 76.58 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 62.01 111.035 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.12 -14.13 39.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 0.716 . . . . 73.45 109.344 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.85 4.48 25.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 73.31 109.262 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.72 67.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.54 1.15 . . . . 73.15 110.989 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.7 14.34 25.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 0.796 . . . . 73.41 109.996 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -28.3 46.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 65.41 109.322 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.553 0 O-C-N 124.54 1.15 . . . . 64.04 109.317 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.332 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' N ' ' C4 ' ' A' ' 18' ' ' ACA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.311 -0.625 . . . . 72.44 109.311 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' ND2' ' HG3' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -111.76 144.06 41.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.177 . . . . 73.32 109.261 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -15.45 34.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 70.41 110.278 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -55.85 -28.46 56.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 73.44 110.298 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -68.06 -26.47 65.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 74.35 110.328 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.401 ' N ' HD21 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.62 -52.95 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.51 109.252 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 tp -52.78 -36.1 57.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.416 1.072 . . . . 75.21 109.287 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.5 mt-10 -77.93 -24.29 48.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 64.21 110.262 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.559 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -59.03 -49.07 79.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 73.23 109.242 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 32' ' ' SER . 35.2 t0 -79.21 -21.35 46.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 74.25 109.368 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -41.29 77.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 74.51 109.284 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.1 p-90 -85.83 -50.28 7.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 74.01 107.954 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.23 -23.18 46.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 71.23 109.246 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -54.39 -27.86 39.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 72.43 110.001 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.533 HD22 ' CD1' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -49.93 -34.64 21.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 73.14 109.296 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.533 ' CD1' HD22 ' A' ' 33' ' ' LEU . 54.5 m95 -68.19 -56.74 7.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 75.21 108.021 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 64.21 109.319 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.997 -0.841 . . . . 71.14 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 tt -50.56 -36.82 14.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 61.33 109.306 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.54 -46.02 92.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.156 . . . . 63.42 110.981 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.53 -34.98 74.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 43.13 109.281 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.3 -38.36 84.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 74.23 109.285 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -67.71 -52.02 42.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 75.11 110.998 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.6 -38.43 87.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 74.34 109.302 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.84 -14.36 80.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 75.21 111.03 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -74.21 -38.0 63.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 73.55 110.999 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' ALA . 20.5 mt -62.93 -34.67 77.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 75.03 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.49 -27.79 13.01 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.127 . . . . 75.23 110.991 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.82 -26.19 25.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.796 . . . . 71.11 109.342 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.62 -21.32 60.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 71.41 109.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.84 -7.54 83.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 73.22 111.022 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 t -91.7 11.22 25.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.747 . . . . 73.51 109.953 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -10.57 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 73.33 109.27 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 tttt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 73.0 109.323 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.331 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.273 -0.639 . . . . 75.53 109.273 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -87.01 150.15 24.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 75.52 109.287 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -13.87 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 72.13 110.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -28.43 57.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 75.11 110.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.41 -27.76 67.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 63.21 110.287 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.76 -31.4 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 71.34 109.329 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -47.53 65.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 72.12 109.338 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.97 -24.75 52.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 74.34 110.299 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.555 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.2 tt -59.57 -49.0 79.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 74.1 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.25 -17.05 55.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 63.21 109.313 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -73.62 -41.89 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 73.43 109.331 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.4 p-90 -85.71 -40.96 15.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 74.4 107.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.38 -20.12 65.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 71.34 109.357 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -27.19 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 74.51 109.946 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.506 HD22 ' CD2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -47.98 -41.08 24.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 74.4 109.331 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.506 ' CD2' HD22 ' A' ' 33' ' ' LEU . 68.0 m95 -53.36 -59.75 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 74.44 107.993 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.592 1.182 . . . . 74.42 109.348 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.044 -0.822 . . . . 75.55 111.044 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -36.0 69.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 74.52 109.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.91 -34.88 57.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 74.22 111.02 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.43 -27.41 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 0.733 . . . . 73.15 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 tp -72.26 -34.87 68.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.428 1.08 . . . . 74.22 109.34 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.503 ' CD2' ' C ' ' A' ' 6' ' ' PHE . 1.9 t80 -74.05 -41.39 61.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.22 110.958 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.99 -41.94 99.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 73.31 109.305 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.76 -13.65 69.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.148 . . . . 74.24 110.99 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.84 -34.46 30.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 74.13 111.006 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.7 mt -56.42 -21.85 27.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 71.21 109.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.85 -36.8 88.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 55.23 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.67 -14.97 55.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 74.04 109.317 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.26 19.86 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 54.5 109.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.75 -18.32 73.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 72.13 110.955 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.79 -24.02 19.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 75.41 110.052 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.8 -53.93 7.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 74.41 109.325 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 pttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 75.51 109.286 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.323 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.297 -0.631 . . . . 75.32 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.412 ' ND2' ' HG2' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -111.7 140.59 46.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 74.01 109.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -15.56 25.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 74.52 110.334 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.412 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -55.8 -28.44 56.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 74.41 110.316 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLU . 24.7 tt0 -68.04 -26.7 66.01 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.092 . . . . 75.23 110.282 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.32 -38.17 3.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 75.34 109.338 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.12 -44.89 79.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 73.41 109.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' GLU . 1.1 mt-10 -77.81 -24.38 48.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.594 1.184 . . . . 63.24 110.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.563 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.0 tt -60.09 -44.36 94.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 65.12 109.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -22.28 35.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 74.52 109.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -41.75 78.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 75.32 109.362 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.0 p-90 -85.66 -45.81 11.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 64.24 107.964 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -59.14 -19.03 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 72.03 109.259 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -60.68 -23.14 64.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 70.13 109.924 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -48.11 -39.79 21.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 72.32 109.306 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.471 ' CD2' HD21 ' A' ' 33' ' ' LEU . 57.8 m95 -55.65 -57.26 12.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 74.23 107.963 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 70.54 109.329 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.039 -0.824 . . . . 74.21 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.65 -30.5 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 74.22 109.338 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.92 -38.85 93.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.447 1.092 . . . . 74.41 110.949 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.39 75.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 75.44 109.345 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -73.32 -33.72 65.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 72.21 109.286 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -69.03 -46.3 68.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 71.21 111.049 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.78 -34.87 70.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 72.34 109.271 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.65 -12.86 81.05 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.549 1.156 . . . . 74.14 111.04 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -31.47 54.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 75.23 110.971 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 66.5 mt -57.05 -28.75 62.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 73.42 109.356 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.29 -34.19 83.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 75.42 110.986 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.39 4.81 44.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 72.04 109.321 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 10' ' ' LEU . . . -65.75 -33.48 75.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 70.35 109.281 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.52 -17.35 62.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 71.31 111.032 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -97.11 13.73 28.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.765 . . . . 73.21 110.033 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -29.02 5.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.176 . . . . 73.43 109.286 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 73.24 109.286 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.33 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mttp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.286 -0.635 . . . . 75.54 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -86.68 139.45 30.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 72.5 109.355 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -17.48 26.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 75.24 110.25 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -28.4 56.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 73.15 110.239 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLU . 2.6 tm-20 -68.38 -27.04 65.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 74.3 110.284 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.41 HD21 ' N ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -43.54 -45.44 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 70.22 109.301 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.59 -43.1 56.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 75.34 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -77.28 -24.17 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 72.31 110.36 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.6 tt -58.09 -44.17 87.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 75.13 109.307 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -81.68 -24.19 36.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 61.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -66.55 -42.2 87.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 71.52 109.246 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.1 p-90 -85.61 -48.44 8.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.007 -1.109 . . . . 73.33 108.007 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.508 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -59.17 -21.21 59.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 63.32 109.336 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -55.37 -25.82 37.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 71.43 109.995 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -48.43 -24.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 73.34 109.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.403 ' N ' ' C ' ' A' ' 32' ' ' SER . 56.4 m95 -76.87 -61.25 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 74.33 108.023 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 74.22 109.262 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.937 -0.865 . . . . 74.2 110.937 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.7 mt -47.7 -44.9 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.425 0.721 . . . . 70.22 109.262 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.64 -36.1 92.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 64.13 110.966 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.22 69.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 75.25 109.261 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -42.67 81.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 73.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -72.72 -35.31 67.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 75.13 110.997 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.35 -49.95 71.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 73.4 109.25 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.7 -10.82 51.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 72.23 110.932 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -30.8 48.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 72.31 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 mt -58.18 -24.62 59.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 72.21 109.262 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.78 -39.72 47.72 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.479 1.112 . . . . 73.55 110.99 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.62 -24.36 49.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 0.823 . . . . 72.41 109.304 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.14 -9.3 59.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 73.13 109.314 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -87.07 9.49 72.33 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.514 1.134 . . . . 61.22 110.987 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -85.29 -6.76 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 64.01 110.018 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -52.64 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 74.54 109.339 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.21 109.325 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.332 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.319 -0.622 . . . . 73.42 109.319 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -94.99 148.36 22.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 72.43 109.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -13.86 25.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 73.53 110.373 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -28.43 57.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 74.41 110.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' GLU . 14.1 tt0 -66.8 -26.32 66.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 73.44 110.254 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -45.68 -51.29 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 75.23 109.268 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -35.46 49.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 73.43 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' GLU . 27.7 mt-10 -77.69 -24.24 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 70.45 110.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -59.2 -48.99 79.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 72.5 109.375 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.86 -17.67 52.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 75.53 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -40.83 64.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 71.23 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.566 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.8 p-90 -85.67 -44.79 12.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 73.13 108.001 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.421 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -54.75 -25.07 25.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.383 1.052 . . . . 72.34 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 34' ' ' TRP . 3.2 m -55.8 -33.51 64.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 74.01 109.972 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.478 HD21 ' CD2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -47.39 -25.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 75.01 109.25 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.478 ' CD2' HD21 ' A' ' 33' ' ' LEU . 59.5 m95 -68.78 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 74.21 107.99 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 62.11 109.32 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 N-CA-C 110.99 -0.844 . . . . 62.34 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -85.05 -25.21 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.602 0.825 . . . . 75.34 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.04 -32.71 81.29 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.503 1.127 . . . . 62.4 111.016 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.43 -30.23 69.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 74.03 109.326 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.11 -35.91 71.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 73.22 109.279 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -72.9 -43.56 62.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 72.24 111.027 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.34 -44.2 97.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 72.02 109.323 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.47 -16.12 64.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 34.2 111.027 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -38.92 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 72.22 111.022 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.14 -29.23 69.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 71.34 109.313 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.09 -32.78 36.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.569 1.168 . . . . 75.23 110.973 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.35 -21.89 33.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 74.44 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.93 5.15 26.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 74.34 109.29 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.3 -21.97 68.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 65.11 111.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.5 p -103.17 -26.11 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 71.01 110.032 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -25.33 43.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 72.12 109.291 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tttt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 75.12 109.324 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.308 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.315 -0.624 . . . . 75.54 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -79.83 152.18 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 75.14 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -14.06 22.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 74.33 110.33 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -56.02 -28.51 57.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 72.31 110.315 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLU . 52.7 tt0 -66.95 -25.99 66.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 74.33 110.271 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -46.36 -54.76 8.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 75.54 109.225 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -27.06 65.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 74.24 109.283 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 1.2 mt-10 -78.2 -24.28 47.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 74.5 110.25 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.565 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -58.81 -49.72 76.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 73.12 109.314 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.13 -17.26 55.39 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 75.24 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -73.32 -40.98 64.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.22 109.325 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 9.5 p-90 -85.74 -46.31 10.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 74.42 108.094 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -56.25 -19.37 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 65.44 109.282 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -56.23 -31.52 63.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 75.5 110.032 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.488 HD21 ' CD2' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -47.82 -30.52 4.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.48 1.113 . . . . 73.42 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.488 ' CD2' HD21 ' A' ' 33' ' ' LEU . 43.4 m95 -63.01 -54.73 33.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.975 -1.12 . . . . 75.51 107.975 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 73.13 109.331 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.922 0 N-CA-C 111.034 -0.827 . . . . 52.55 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tt -58.15 -43.38 85.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.418 0.717 . . . . 72.22 109.317 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.56 -37.91 90.0 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 73.44 111.007 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.4 -34.28 76.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 73.31 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -35.03 63.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 74.43 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -69.66 -41.51 75.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 75.23 111.002 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.58 -44.03 91.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 71.22 109.329 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.58 -12.74 64.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 60.53 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -34.22 50.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 0.813 . . . . 70.31 111.002 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.3 mt -61.69 -19.94 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.52 109.345 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.09 86.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.126 . . . . 70.32 110.944 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.48 -10.02 55.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 63.33 109.298 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.69 -7.66 55.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 73.24 109.294 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.08 15.79 62.67 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.551 1.157 . . . . 73.34 111.04 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.3 t -101.05 13.77 34.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.74 . . . . 75.45 109.989 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.44 -34.91 75.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 75.11 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.8 mttm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 74.13 109.271 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.33 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.345 -0.613 . . . . 61.42 109.345 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.11 148.58 28.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 74.33 109.338 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -13.83 31.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 73.12 110.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -28.42 59.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 71.41 110.268 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLU . 13.0 tt0 -67.24 -25.18 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 72.43 110.247 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -46.99 -47.47 21.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 72.22 109.308 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.26 -31.22 72.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 75.02 109.263 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -78.2 -24.11 47.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 74.3 110.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -56.77 -49.73 74.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 72.32 109.304 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 32' ' ' SER . 4.8 t0 -78.22 -32.13 49.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 73.35 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -56.69 -44.02 81.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 74.42 109.312 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 5.7 p-90 -80.52 -49.25 11.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 74.35 107.988 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.555 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.65 -19.38 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 75.24 109.258 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -56.99 -30.59 64.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.458 1.099 . . . . 62.43 109.969 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.11 -27.26 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 73.5 109.325 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -69.95 -60.18 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 73.25 107.992 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 75.14 109.282 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.007 -0.837 . . . . 74.45 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mt -72.4 -41.3 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 75.51 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.6 -36.09 92.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 72.41 110.999 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.31 77.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 0.733 . . . . 72.25 109.367 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.69 -32.9 70.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 73.35 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -71.21 -48.57 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 72.55 110.983 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -44.28 91.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.186 . . . . 73.34 109.305 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.61 -13.28 71.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 75.25 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -28.8 36.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 75.54 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.75 -27.5 68.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 73.42 109.345 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.0 -35.77 77.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.108 . . . . 63.1 110.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.87 -13.49 56.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 73.11 109.298 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.98 -8.16 58.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 72.3 109.325 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.88 -14.22 73.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 71.32 111.004 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -107.38 -10.53 15.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 74.42 109.962 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.51 -46.7 86.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 74.23 109.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 71.11 109.258 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.33 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.318 -0.623 . . . . 72.53 109.318 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -104.79 143.66 32.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 63.42 109.26 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -15.34 19.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 73.25 110.251 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -28.37 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.55 110.272 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' GLU . 21.6 tp10 -67.75 -24.99 65.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 74.4 110.261 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -47.01 -30.75 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 72.24 109.274 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.61 -42.52 95.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 72.15 109.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -78.17 -24.71 47.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 73.02 110.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.565 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 4.1 tt -59.92 -42.21 93.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 73.1 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -83.32 -33.17 25.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 75.42 109.325 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.65 -40.56 83.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 74.13 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.9 p-90 -85.95 -51.81 6.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.041 -1.096 . . . . 74.31 108.041 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.594 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.25 -19.77 9.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 74.51 109.255 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -54.95 -30.05 57.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 73.11 110.055 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -46.23 -34.99 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 72.12 109.328 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.452 ' CD2' HD23 ' A' ' 33' ' ' LEU . 61.6 m95 -58.98 -65.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.951 -1.129 . . . . 74.23 107.951 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 74.53 109.265 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.985 -0.846 . . . . 70.31 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mp -62.02 -52.55 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 74.23 109.318 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.74 -42.45 91.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 74.04 110.991 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.63 -19.24 63.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 74.12 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -48.34 63.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 50.34 109.27 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.37 -45.84 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 70.01 110.999 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.6 -39.31 93.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 73.22 109.264 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.96 -14.38 80.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 63.11 111.042 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -74.66 -41.18 60.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 0.776 . . . . 75.25 111.024 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -60.86 -26.67 67.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 64.44 109.297 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.34 -28.0 54.21 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.461 1.1 . . . . 53.42 111.006 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.83 -25.51 37.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.799 . . . . 51.33 109.287 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.84 -43.58 65.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 74.41 109.312 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.69 13.84 66.44 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.507 1.129 . . . . 64.52 110.972 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -76.5 -2.41 32.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 72.11 109.96 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -10.31 57.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 72.52 109.34 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 74.42 109.315 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.312 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.366 -0.605 . . . . 74.13 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -102.53 150.44 23.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 74.5 109.327 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -13.61 50.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 64.45 110.263 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -56.14 -29.63 61.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 73.44 110.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLU . 5.4 tm-20 -65.37 -25.24 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 73.22 110.286 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -48.09 -44.07 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 75.21 109.315 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.37 -28.16 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 71.12 109.347 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.6 mt-10 -77.61 -24.87 49.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 70.34 110.28 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.569 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 4.0 tt -59.66 -42.46 92.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 54.21 109.244 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' SER . 47.0 t0 -83.24 -33.32 26.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 74.43 109.286 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.55 -40.63 83.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 70.54 109.267 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.598 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.9 p-90 -85.83 -51.9 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 74.22 108.018 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.598 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.14 -19.8 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 63.45 109.294 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' ASP . 4.8 t -55.28 -32.51 62.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 71.54 110.071 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.406 HD22 ' CG ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -47.86 -34.92 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 73.11 109.269 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.406 ' CG ' HD22 ' A' ' 33' ' ' LEU . 49.9 m95 -62.92 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.98 -1.119 . . . . 72.41 107.98 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 75.23 109.346 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.024 -0.831 . . . . 71.32 111.024 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.7 mt -59.8 -49.8 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 63.41 109.314 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.35 -33.96 88.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 64.53 111.028 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.11 -29.26 70.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 73.52 109.327 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -75.19 -36.22 61.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 70.25 109.29 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -68.71 -45.83 70.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 74.44 111.016 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.12 -42.47 96.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 73.42 109.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.58 -16.1 69.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 62.11 110.975 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -35.63 53.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 0.761 . . . . 73.11 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.17 -17.39 40.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 72.32 109.247 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.82 -31.26 79.19 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.457 1.098 . . . . 73.21 110.974 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.56 -4.17 58.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 72.12 109.356 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.75 -23.8 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 74.42 109.337 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.54 9.03 71.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 65.02 110.966 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -119.04 16.48 13.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 0.808 . . . . 71.4 110.038 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -65.5 -41.79 92.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.15 109.268 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 73.31 109.361 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.316 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 mttp . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.274 -0.639 . . . . 74.55 109.274 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.03 148.32 24.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 72.43 109.234 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -13.62 62.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 75.43 110.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -57.37 -28.39 63.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 74.02 110.314 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' GLU . 3.5 tt0 -67.41 -22.98 65.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 72.3 110.327 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' N ' HD21 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -49.73 -25.26 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 73.42 109.292 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -40.3 62.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 73.41 109.309 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -78.19 -24.15 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 71.5 110.325 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -57.8 -49.73 75.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 75.52 109.267 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.95 -16.5 56.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 72.04 109.3 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -41.03 63.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 75.24 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 11.3 p-90 -85.86 -44.93 12.03 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.984 -1.117 . . . . 74.42 107.984 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -56.06 -21.99 24.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 54.03 109.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.83 -29.44 59.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 71.25 109.964 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.465 HD22 ' CG ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -46.29 -28.42 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 75.23 109.252 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.465 ' CG ' HD22 ' A' ' 33' ' ' LEU . 44.2 m95 -70.89 -51.03 28.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 74.41 108.023 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.443 ' ND2' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 71.11 109.294 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.02 -0.832 . . . . 73.43 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.2 mt -54.75 -28.89 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 64.54 109.284 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.71 -32.7 58.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.143 . . . . 62.24 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.77 -26.21 57.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 63.24 109.269 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -72.71 -41.87 64.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 72.11 109.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.422 ' CD2' ' C ' ' A' ' 6' ' ' PHE . 3.9 t80 -65.28 -44.17 88.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 64.51 111.033 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -57.67 -44.18 85.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 70.43 109.305 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.35 -11.06 64.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 71.22 110.999 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.04 -17.4 46.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 75.43 110.977 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.75 -15.89 63.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 74.44 109.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.26 -29.72 69.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 71.14 110.994 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.57 -22.58 28.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 72.13 109.27 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.1 -10.14 59.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 73.1 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -87.14 11.56 64.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.113 . . . . 64.21 111.045 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.47 15.42 9.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 61.02 110.023 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -58.67 -18.86 34.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 71.5 109.327 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 73.24 109.298 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.334 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.28 -0.637 . . . . 54.13 109.28 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.69 140.83 46.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 73.35 109.354 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -15.35 19.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 74.12 110.261 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -28.42 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 71.53 110.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' GLU . 7.4 tm-20 -67.83 -26.43 66.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 73.32 110.325 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.85 -56.59 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 75.12 109.283 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -30.46 64.99 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.511 1.132 . . . . 74.25 109.321 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -78.27 -24.15 46.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 74.31 110.315 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.575 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.4 tt -62.24 -40.98 97.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 74.32 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -83.32 -33.69 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 71.1 109.272 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' CD ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -58.87 -47.68 84.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 75.44 109.318 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.59 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.1 p-90 -76.73 -50.93 12.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 74.53 108.029 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.59 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.23 -19.69 8.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 74.13 109.351 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.9 OUTLIER -52.27 -26.17 11.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 73.23 109.979 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -50.52 -36.57 34.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 73.54 109.354 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.452 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 77.6 m95 -56.07 -53.11 60.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 75.25 108.024 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.9 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 75.4 109.25 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.035 -0.826 . . . . 73.2 111.035 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.6 mt -80.7 -57.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 74.14 109.32 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.41 -42.92 90.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 54.44 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.34 -19.3 45.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 0.771 . . . . 70.32 109.301 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.95 -39.24 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.1 109.359 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -72.59 -38.44 67.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 74.11 111.028 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.09 -49.58 76.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 73.42 109.322 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.83 -19.44 63.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.435 1.085 . . . . 75.24 111.034 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -28.82 52.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 73.1 110.94 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.8 mt -62.47 -28.37 69.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.32 109.335 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.2 -29.52 59.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 72.21 110.972 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.4 -19.37 31.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 73.01 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.11 -38.26 27.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 70.44 109.347 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.37 25.6 17.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 73.04 110.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.97 -21.03 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 71.15 110.021 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -74.67 -51.75 13.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 65.43 109.334 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 71.53 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.336 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.345 -0.613 . . . . 72.01 109.345 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -102.13 154.2 19.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 74.3 109.313 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -13.47 61.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 71.3 110.294 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.415 ' HB2' ' ND2' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -57.14 -28.7 62.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 72.24 110.344 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' GLU . 10.5 tt0 -67.05 -23.01 65.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 74.55 110.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -50.16 -23.51 2.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 74.31 109.287 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -74.09 -38.56 63.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 75.21 109.374 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.6 mt-10 -77.6 -24.18 49.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 73.42 110.336 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -59.02 -49.58 77.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 74.53 109.267 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -16.76 55.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 75.2 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -40.93 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 75.22 109.281 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.8 p-90 -85.6 -44.17 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 75.44 108.035 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.424 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.69 -23.9 54.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 63.31 109.286 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -54.82 -23.04 16.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 71.11 110.062 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -51.24 -32.04 22.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 75.42 109.264 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.442 ' CD2' HD22 ' A' ' 33' ' ' LEU . 66.1 m95 -63.25 -61.42 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 74.13 108.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 75.15 109.259 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.967 -0.853 . . . . 74.23 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -25.56 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 73.3 109.35 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.47 -36.94 54.92 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.555 1.159 . . . . 72.11 110.966 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.91 -32.85 74.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 0.816 . . . . 64.24 109.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.24 -48.16 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 73.13 109.325 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.449 ' CE2' HD22 ' A' ' 10' ' ' LEU . 19.4 t80 -55.17 -36.34 65.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 75.22 111.009 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.25 -42.22 99.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 72.42 109.316 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.57 -14.63 82.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 74.44 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.63 -27.78 51.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 75.42 111.047 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.449 HD22 ' CE2' ' A' ' 6' ' ' PHE . 9.0 mt -64.13 -14.82 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 75.52 109.341 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.41 -32.41 81.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 75.2 111.029 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.5 1.32 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 53.44 109.293 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.18 14.31 22.56 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.524 1.14 . . . . 70.21 109.255 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.16 -35.43 64.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 72.41 111.012 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 p -84.35 -26.27 28.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 0.743 . . . . 74.24 110.012 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -60.58 -20.64 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 72.44 109.269 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mttt . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 73.11 109.289 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.316 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.317 -0.623 . . . . 75.32 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -102.68 154.45 19.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 74.32 109.361 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -13.62 61.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 75.11 110.293 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.415 ' HB2' ' ND2' ' A' ' 20' ' ' ASN . 1.7 mt-30 -56.99 -28.82 62.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 75.1 110.283 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLU . 15.8 tt0 -67.09 -22.91 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 73.25 110.334 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.412 ' N ' HD21 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -50.16 -28.08 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 63.44 109.329 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.14 -34.78 63.98 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.1 . . . . 75.14 109.289 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' GLU . 4.1 mt-10 -78.27 -24.1 46.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 71.42 110.266 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -50.4 -48.51 55.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 73.35 109.267 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' SER . 7.0 t0 -79.66 -34.7 40.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 70.03 109.312 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -38.49 63.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 74.24 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 5.0 p-90 -85.75 -47.68 9.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 73.22 108.044 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.569 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.69 -19.38 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 75.3 109.284 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' ASP . 9.0 p -57.5 -31.29 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 74.34 110.02 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -47.11 -28.96 1.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.445 1.091 . . . . 73.12 109.273 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.43 ' CD2' HD22 ' A' ' 33' ' ' LEU . 46.2 m95 -63.47 -51.39 65.81 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 74.05 108.014 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 74.21 109.235 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.022 -0.831 . . . . 74.33 111.022 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 3' ' ' GLY . 1.1 tt -62.91 -28.05 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.427 0.722 . . . . 75.41 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.404 ' N ' HG21 ' A' ' 2' ' ' ILE . . . -68.54 -32.3 74.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 73.13 111.023 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.76 80.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 0.781 . . . . 74.23 109.28 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -33.62 60.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 64.33 109.303 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.54 -49.86 75.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 74.43 110.967 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -54.17 -44.87 71.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 75.34 109.243 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.02 -17.77 72.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 63.14 111.005 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -32.08 57.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 72.45 111.002 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.4 mt -63.95 -16.71 62.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 73.2 109.259 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.06 -37.28 94.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.525 1.141 . . . . 62.41 111.052 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.59 -21.07 52.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.776 . . . . 71.44 109.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.97 -9.46 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 74.35 109.32 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.27 -15.83 77.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.425 1.078 . . . . 73.15 111.047 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.41 -26.54 55.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 74.21 109.949 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -30.13 64.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 74.42 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 74.25 109.307 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.331 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.287 -0.634 . . . . 75.45 109.287 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -108.59 152.56 24.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 74.41 109.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -13.74 29.4 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 73.24 110.263 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.86 -28.54 57.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 74.24 110.333 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLU . 50.3 tt0 -66.84 -26.21 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 73.41 110.283 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -46.64 -32.87 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.385 1.053 . . . . 64.32 109.284 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -42.09 98.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 75.43 109.245 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' GLU . 9.6 mt-10 -78.18 -23.82 47.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 73.4 110.336 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 1.6 tm? -62.46 -48.79 78.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 74.42 109.266 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -78.1 -18.59 55.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 73.34 109.359 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -73.83 -43.49 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 75.51 109.315 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.547 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 5.7 p-90 -85.78 -55.44 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.025 -1.102 . . . . 73.32 108.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.547 ' N ' ' CG ' ' A' ' 30' ' ' TRP . . . -53.72 -20.83 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 51.13 109.269 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -51.6 -35.33 41.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 63.24 110.004 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.509 HD21 ' CD2' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.56 -37.35 7.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 74.11 109.278 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.509 ' CD2' HD21 ' A' ' 33' ' ' LEU . 52.9 m95 -57.96 -62.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 75.3 108.04 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 p30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 73.42 109.227 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.958 -0.857 . . . . 75.22 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 mp -82.29 -52.5 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 0.738 . . . . 74.5 109.354 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.77 -35.93 88.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 55.51 111.027 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.7 65.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 73.42 109.286 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -45.37 66.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 73.34 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -72.82 -40.98 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 65.12 110.993 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.26 -37.27 83.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.3 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.93 -9.1 75.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.412 1.07 . . . . 65.44 110.977 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -81.5 -39.25 25.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.797 . . . . 71.25 111.028 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 mt -57.28 -29.72 64.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 73.4 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.2 -35.05 63.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.155 . . . . 73.24 110.964 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.16 -14.49 58.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 72.12 109.274 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.84 -51.56 12.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 74.4 109.289 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.6 26.03 20.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 73.02 110.95 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.17 -12.16 59.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 0.8 . . . . 65.22 109.981 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.12 -40.21 45.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 75.04 109.259 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 74.53 109.297 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.339 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.245 -0.65 . . . . 73.45 109.245 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -65.31 155.26 35.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 62.42 109.319 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -13.49 61.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 73.41 110.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.12 -28.8 63.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 64.15 110.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -22.96 65.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 74.41 110.348 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -50.35 -35.11 26.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 62.54 109.271 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.6 tp -68.59 -35.23 77.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 74.15 109.282 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.19 -23.99 47.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 74.23 110.265 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 1.6 tm? -62.28 -48.87 78.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 72.1 109.322 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 32' ' ' SER . 4.5 m-20 -78.17 -18.57 55.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 74.05 109.336 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -43.45 58.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.23 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.551 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 5.9 p-90 -85.95 -55.33 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.012 -1.107 . . . . 75.52 108.012 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 30' ' ' TRP . . . -53.75 -20.8 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 74.41 109.301 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -51.45 -35.29 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 73.5 110.036 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' CD2' ' N ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.68 -43.16 17.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 74.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.412 ' N ' ' CD2' ' A' ' 33' ' ' LEU . 64.3 m95 -42.66 -61.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 73.53 108.006 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 75.3 109.254 -179.935 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.957 -0.857 . . . . 63.14 110.957 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 tp -70.87 -26.95 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.427 0.722 . . . . 71.2 109.311 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.97 -36.92 56.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 71.22 111.007 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.36 -32.21 66.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 75.14 109.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -48.47 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 75.1 109.31 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -56.54 -38.05 71.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 71.31 111.077 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.69 -38.55 87.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 73.51 109.278 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.93 -17.87 77.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 72.25 111.005 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -78.55 -14.6 59.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 74.54 111.037 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.15 -22.04 65.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 72.01 109.345 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.02 -41.3 97.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 71.23 110.987 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.05 4.86 36.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 75.11 109.286 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.85 17.97 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 75.22 109.288 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.88 -22.01 75.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 62.51 110.962 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 m -111.34 -10.92 14.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 64.35 110.023 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -68.79 -42.66 77.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.12 109.278 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 74.22 109.258 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.314 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.268 -0.641 . . . . 75.13 109.268 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -108.17 146.22 33.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 75.1 109.273 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -14.62 35.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 72.04 110.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -56.4 -28.77 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.42 110.264 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' GLU . 3.5 tm-20 -66.98 -27.24 67.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 74.31 110.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.52 -45.07 9.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 72.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -42.89 97.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 70.25 109.29 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HG2' ' CD ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -67.87 -27.09 66.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 73.43 110.303 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.586 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.1 tt -59.84 -43.51 94.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 74.43 109.324 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' SER . 28.1 t70 -83.4 -33.01 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 62.52 109.3 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' CD ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -59.75 -40.16 87.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 70.52 109.282 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.606 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 1.7 p-90 -85.87 -49.92 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 75.42 108.029 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.606 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.71 -19.06 24.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 73.33 109.339 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -56.08 -26.77 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 53.43 110.011 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -40.32 47.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 73.22 109.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -50.88 -54.68 21.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 75.43 108.016 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 72.42 109.301 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.83 . . . . 72.03 111.026 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 tt -72.18 -35.13 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.554 0.797 . . . . 74.41 109.319 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.08 74.57 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.518 1.136 . . . . 72.41 111.04 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.43 -20.23 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 0.802 . . . . 64.14 109.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -78.8 -32.85 46.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 75.53 109.269 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.62 ' CD2' ' C ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -74.94 -35.49 62.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.195 . . . . 74.33 111.055 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.571 HD22 ' CD1' ' A' ' 6' ' ' PHE . 2.4 mm? -53.3 -52.62 58.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.11 109.338 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.38 -19.34 62.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.57 1.169 . . . . 64.42 110.964 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.21 -24.99 51.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 75.02 111.013 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.3 mt -53.74 -25.63 19.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 75.04 109.336 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.61 95.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.44 1.088 . . . . 73.02 111.031 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.98 -12.78 52.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 72.23 109.339 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -27.11 62.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 74.32 109.276 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.55 -3.65 55.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 73.13 111.004 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.5 m -125.94 32.36 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 74.24 110.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -67.28 -55.16 15.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 72.25 109.347 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.596 1.185 . . . . 73.04 109.275 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.333 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.357 -0.609 . . . . 61.41 109.357 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' A' ' 22' ' ' GLN . 0.3 OUTLIER -111.6 145.07 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 74.54 109.276 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -13.97 34.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 75.54 110.27 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.404 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -56.19 -29.07 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 74.25 110.328 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 26' ' ' GLU . 4.2 tt0 -66.55 -26.45 67.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 72.3 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -45.73 -46.36 15.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 74.22 109.346 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.23 -37.92 70.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 74.22 109.277 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' GLU . 14.6 mt-10 -77.34 -24.24 50.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 74.2 110.301 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 1.4 tt -61.92 -46.76 87.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 72.14 109.3 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.83 -18.19 51.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 75.41 109.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -73.43 -44.0 59.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 74.35 109.268 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.9 p-90 -84.05 -47.91 10.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.932 -1.136 . . . . 75.23 107.932 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.514 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -58.53 -21.83 53.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 71.52 109.312 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -56.16 -22.29 27.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 71.12 110.007 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -53.24 -34.8 58.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 73.24 109.322 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.5 ' CD1' HD23 ' A' ' 33' ' ' LEU . 55.9 m95 -65.3 -62.95 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 75.41 107.999 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 C--N 1.327 -0.408 0 O-C-N 124.492 1.12 . . . . 74.43 109.304 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.984 -0.846 . . . . 72.24 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tt -63.83 -25.87 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 74.2 109.329 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.19 -37.41 91.72 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.518 1.136 . . . . 71.1 110.967 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.79 -28.23 65.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 75.22 109.28 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -38.66 71.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 75.05 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CD2' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -74.94 -41.6 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 75.42 111.028 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.578 HD12 ' CD2' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -52.38 -52.47 53.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.13 109.328 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.03 -19.95 66.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.57 1.169 . . . . 75.04 110.987 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.3 -14.49 58.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 71.03 110.984 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 6' ' ' PHE . 86.8 mt -67.91 -20.9 65.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 74.13 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.48 -38.11 93.08 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.539 1.149 . . . . 70.03 110.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.1 6.5 36.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.79 . . . . 74.5 109.182 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.17 23.61 8.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.444 1.09 . . . . 63.13 109.355 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.84 -13.94 81.97 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.475 1.109 . . . . 73.55 110.966 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.49 -10.38 54.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 75.41 109.997 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -80.7 -10.05 59.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.127 . . . . 73.34 109.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 75.1 109.244 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.297 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 mttt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.3 -0.629 . . . . 73.33 109.3 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -79.18 151.74 31.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 74.22 109.314 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -14.87 19.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 72.14 110.3 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -55.87 -28.39 56.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.416 1.072 . . . . 64.51 110.259 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' GLU . 52.1 tt0 -67.78 -26.27 66.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 75.31 110.406 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.416 ' N ' HD21 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -45.87 -48.66 15.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 74.34 109.29 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mt -57.75 -35.56 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 74.35 109.284 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.2 mt-10 -77.6 -24.74 49.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.422 1.076 . . . . 71.31 110.286 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.562 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 7.7 tt -60.72 -46.15 91.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 61.5 109.316 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -80.53 -20.03 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.34 109.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -70.98 -43.95 66.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 65.24 109.288 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.562 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.1 p-90 -83.55 -46.45 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.2 107.999 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.492 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -58.19 -19.78 36.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 74.2 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -27.14 42.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 74.5 110.012 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -34.51 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 74.12 109.314 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -58.14 -53.4 58.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.985 -1.117 . . . . 72.35 107.985 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 75.24 109.297 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.999 -0.84 . . . . 71.23 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.0 tp -71.92 -45.59 63.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.767 . . . . 72.01 109.347 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.28 -37.62 55.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.578 1.173 . . . . 74.42 110.974 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.35 -24.03 59.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 62.34 109.251 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.83 -45.57 70.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.41 109.299 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD1' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -74.87 -41.68 59.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.581 1.176 . . . . 75.5 110.981 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.567 HD12 ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -52.37 -49.7 63.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 74.13 109.354 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.11 -17.6 59.21 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 63.23 110.946 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.63 -21.44 38.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.779 . . . . 73.33 110.99 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.7 mt -68.0 -22.31 65.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 60.52 109.288 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.19 -39.79 92.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.423 1.077 . . . . 71.41 110.99 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.35 -25.83 51.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 0.78 . . . . 65.02 109.277 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.92 -19.58 65.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 71.03 109.282 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.09 29.99 4.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 52.54 111.018 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.2 t -118.14 0.46 11.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 0.795 . . . . 74.2 110.018 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -64.06 -56.27 16.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 75.12 109.234 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 74.51 109.343 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ACA . . . . . 1.313 ' H62' ' C6 ' ' A' ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.439 ' CD ' ' H51' ' A' ' 18' ' ' ACA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.353 -0.61 . . . . 74.11 109.353 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -69.22 150.54 47.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 74.34 109.279 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -14.62 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 74.43 110.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.82 -28.5 56.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 74.42 110.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 25' ' ' LEU . 2.1 tm-20 -67.09 -27.07 67.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 63.41 110.286 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -45.28 -27.44 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 73.22 109.293 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 23' ' ' GLU . 1.2 tm? -63.38 -49.3 74.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 72.32 109.273 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -24.94 52.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 74.41 110.263 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.4 tt -60.39 -46.93 88.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 65.33 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -80.2 -20.32 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 71.35 109.317 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -42.76 70.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 71.53 109.373 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.9 p-90 -84.99 -45.37 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 71.53 108.026 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -59.48 -20.86 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 71.31 109.269 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.94 -26.68 60.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 75.32 109.95 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.492 HD21 ' CD2' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -52.29 -33.31 41.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 72.12 109.355 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.492 ' CD2' HD21 ' A' ' 33' ' ' LEU . 62.2 m95 -61.01 -62.79 1.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.978 -1.119 . . . . 75.44 107.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.2 p30 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 72.04 109.285 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.583 ' O ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.041 -0.824 . . . . 53.3 111.041 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.83 67.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 73.45 109.281 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -66.85 -42.12 86.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 71.31 109.297 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.429 ' CD2' ' C ' ' A' ' 6' ' ' PHE . 6.6 t80 -68.18 -45.32 73.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 75.33 110.963 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 3' ' ' GLY . 2.6 mm? -55.24 -41.75 72.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 62.21 109.314 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.95 -15.93 78.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.511 1.132 . . . . 44.54 111.004 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -32.45 57.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.345 0.674 . . . . 65.2 110.966 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 22.8 mt -60.21 -29.13 68.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 71.34 109.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.22 -36.68 89.81 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.482 1.114 . . . . 73.43 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.42 -9.1 53.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 0.726 . . . . 34.4 109.265 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 64.04 109.327 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.31 -0.626 . . . . 70.11 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -77.32 -24.67 50.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 72.32 110.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.543 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 8.4 tt -60.88 -47.7 85.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 74.23 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -79.89 -17.68 52.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 70.21 109.351 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -73.52 -43.37 60.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 52.51 109.315 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.7 p-90 -84.24 -43.83 14.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.988 -1.115 . . . . 75.23 107.988 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.461 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -63.4 -24.71 67.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 52.34 109.344 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -51.27 -24.95 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 61.42 110.01 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.653 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -53.12 -39.52 63.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 73.53 109.343 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.653 ' H ' HD23 ' A' ' 33' ' ' LEU . 63.7 m95 . . . . . 0 C--N 1.326 -0.446 0 N-CA-C 108.023 -1.103 . . . . 74.03 108.023 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.056 -0.818 . . . . 61.12 111.056 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.49 -30.42 62.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 73.2 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.35 -44.64 74.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 70.4 109.312 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -64.48 -43.8 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 62.32 110.963 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.416 HD13 HD12 ' A' ' 10' ' ' LEU . 2.6 mm? -56.35 -47.57 78.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 72.44 109.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.93 -18.22 70.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.462 1.101 . . . . 64.21 111.017 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.17 -27.05 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 75.01 111.034 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.416 HD12 HD13 ' A' ' 7' ' ' LEU . 95.5 mt -60.42 -16.27 34.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 75.34 109.332 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.54 -33.39 76.58 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 44.3 111.035 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.12 -14.13 39.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 0.716 . . . . 73.45 109.344 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 73.31 109.262 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.287 -0.635 . . . . 75.21 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.93 -24.29 48.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 64.21 110.262 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -59.03 -49.07 79.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 73.23 109.242 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 32' ' ' SER . 35.2 t0 -79.21 -21.35 46.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 74.25 109.368 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -41.29 77.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 74.51 109.284 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.1 p-90 -85.83 -50.28 7.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 73.43 107.954 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.52 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.23 -23.18 46.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 34.41 109.246 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -54.39 -27.86 39.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 72.43 110.001 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -49.93 -34.64 21.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 51.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.458 ' H ' HD23 ' A' ' 33' ' ' LEU . 54.5 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 75.21 108.021 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 63.24 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.53 -34.98 74.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 42.54 109.281 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.3 -38.36 84.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 54.33 109.285 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -67.71 -52.02 42.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 74.32 110.998 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.6 -38.43 87.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 74.34 109.302 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.84 -14.36 80.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 75.21 111.03 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -74.21 -38.0 63.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 61.31 110.999 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' ALA . 20.5 mt -62.93 -34.67 77.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 75.03 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.49 -27.79 13.01 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.127 . . . . 52.23 110.991 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.82 -26.19 25.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.796 . . . . 50.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 71.41 109.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.338 -0.616 . . . . 71.01 109.338 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.97 -24.75 52.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 74.34 110.299 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.543 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.2 tt -59.57 -49.0 79.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 60.12 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.25 -17.05 55.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 63.21 109.313 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -73.62 -41.89 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 73.43 109.331 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.4 p-90 -85.71 -40.96 15.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 72.42 107.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.38 -20.12 65.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 43.3 109.357 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -27.19 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 74.51 109.946 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.759 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -47.98 -41.08 24.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 74.4 109.331 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.759 ' H ' HD23 ' A' ' 33' ' ' LEU . 68.0 m95 . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 74.44 107.993 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.02 -0.832 . . . . 74.22 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.43 -27.41 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 0.733 . . . . 55.33 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 5' ' ' LEU . 4.7 tp -72.26 -34.87 68.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.428 1.08 . . . . 71.53 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.643 ' HD2' HD22 ' A' ' 7' ' ' LEU . 1.9 t80 -74.05 -41.39 61.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.22 110.958 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.643 HD22 ' HD2' ' A' ' 6' ' ' PHE . 3.6 mm? -62.99 -41.94 99.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 73.31 109.305 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.76 -13.65 69.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.148 . . . . 55.13 110.99 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.84 -34.46 30.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 74.13 111.006 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.7 mt -56.42 -21.85 27.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 64.43 109.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.85 -36.8 88.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 24.32 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.67 -14.97 55.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 74.04 109.317 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 21.55 109.347 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.297 -0.631 . . . . 73.21 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.81 -24.38 48.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.594 1.184 . . . . 63.24 110.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.0 tt -60.09 -44.36 94.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 63.01 109.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -22.28 35.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 74.52 109.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -41.75 78.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 54.3 109.362 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.0 p-90 -85.66 -45.81 11.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 61.23 107.964 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -59.14 -19.03 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 31.45 109.259 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -60.68 -23.14 64.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 70.13 109.924 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -48.11 -39.79 21.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 72.32 109.306 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.644 ' H ' HD23 ' A' ' 33' ' ' LEU . 57.8 m95 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 73.34 107.963 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.448 ' O ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.949 -0.86 . . . . 74.41 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.39 75.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 62.21 109.345 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -73.32 -33.72 65.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 51.15 109.286 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -69.03 -46.3 68.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 71.21 111.049 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 3' ' ' GLY . 4.2 mm? -57.78 -34.87 70.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 71.44 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.65 -12.86 81.05 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.549 1.156 . . . . 72.11 111.04 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -31.47 54.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 73.02 110.971 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 66.5 mt -57.05 -28.75 62.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 73.42 109.356 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.29 -34.19 83.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 60.13 110.986 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.39 4.81 44.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 71.44 109.321 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 70.35 109.281 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.636 . . . . 62.22 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -24.17 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 71.33 110.36 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.6 tt -58.09 -44.17 87.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 62.34 109.307 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -81.68 -24.19 36.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 60.03 109.27 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -66.55 -42.2 87.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 70.55 109.246 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.1 p-90 -85.61 -48.44 8.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.007 -1.109 . . . . 61.31 108.007 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.508 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -59.17 -21.21 59.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 63.32 109.336 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -55.37 -25.82 37.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 71.43 109.995 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.526 HD21 ' CE2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -48.43 -24.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 73.34 109.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.526 ' CE2' HD21 ' A' ' 33' ' ' LEU . 56.4 m95 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 74.33 108.023 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.966 -0.853 . . . . 64.13 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.22 69.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 75.25 109.261 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -42.67 81.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 70.33 109.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.413 ' HD2' HD22 ' A' ' 7' ' ' LEU . 7.5 t80 -72.72 -35.31 67.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 75.13 110.997 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.413 HD22 ' HD2' ' A' ' 6' ' ' PHE . 1.9 mm? -63.35 -49.95 71.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 72.14 109.25 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.7 -10.82 51.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 72.23 110.932 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -30.8 48.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 70.33 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 mt -58.18 -24.62 59.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 61.21 109.262 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.78 -39.72 47.72 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.479 1.112 . . . . 54.14 110.99 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.62 -24.36 49.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 0.823 . . . . 55.25 109.304 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 62.13 109.314 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.309 -0.626 . . . . 71.33 109.309 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.69 -24.24 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 70.45 110.333 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -59.2 -48.99 79.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 72.5 109.375 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.86 -17.67 52.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 75.53 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -40.83 64.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 71.23 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.557 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.8 p-90 -85.67 -44.79 12.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 73.13 108.001 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.421 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -54.75 -25.07 25.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.383 1.052 . . . . 72.34 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 34' ' ' TRP . 3.2 m -55.8 -33.51 64.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 74.01 109.972 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.746 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -47.39 -25.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 72.52 109.25 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.746 ' N ' HD23 ' A' ' 33' ' ' LEU . 59.5 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 71.14 107.99 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.016 -0.834 . . . . 51.44 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.43 -30.23 69.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 74.03 109.326 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.11 -35.91 71.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 73.22 109.279 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -72.9 -43.56 62.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 50.21 111.027 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.34 -44.2 97.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 60.21 109.323 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.47 -16.12 64.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 34.15 111.027 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -38.92 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 72.22 111.022 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.14 -29.23 69.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 71.34 109.313 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.09 -32.78 36.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.569 1.168 . . . . 75.23 110.973 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.35 -21.89 33.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 71.11 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 74.34 109.29 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.283 -0.636 . . . . 74.24 109.283 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.2 -24.28 47.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 74.5 110.25 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -58.81 -49.72 76.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 64.22 109.314 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.13 -17.26 55.39 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 74.5 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -73.32 -40.98 64.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.22 109.325 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 9.5 p-90 -85.74 -46.31 10.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 71.33 108.094 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -56.25 -19.37 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 65.44 109.282 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -56.23 -31.52 63.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 75.5 110.032 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.536 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -47.82 -30.52 4.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.48 1.113 . . . . 55.55 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.536 ' N ' HD23 ' A' ' 33' ' ' LEU . 43.4 m95 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 107.975 -1.12 . . . . 75.51 107.975 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.007 -0.837 . . . . 72.11 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.4 -34.28 76.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 73.31 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -35.03 63.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 60.12 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -69.66 -41.51 75.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 75.23 111.002 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.58 -44.03 91.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 71.11 109.329 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.58 -12.74 64.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 60.53 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -34.22 50.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 0.813 . . . . 55.22 111.002 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 47.3 mt -61.69 -19.94 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.52 109.345 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.09 86.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.126 . . . . 70.32 110.944 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.48 -10.02 55.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 63.05 109.298 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 73.12 109.294 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.263 -0.643 . . . . 75.02 109.263 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 -24.11 47.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 62.34 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -56.77 -49.73 74.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 72.31 109.304 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 32' ' ' SER . 4.8 t0 -78.22 -32.13 49.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 73.35 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -56.69 -44.02 81.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 74.42 109.312 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 5.7 p-90 -80.52 -49.25 11.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 74.35 107.988 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.555 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.65 -19.38 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 71.24 109.258 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -56.99 -30.59 64.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.458 1.099 . . . . 61.24 109.969 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -47.11 -27.26 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 63.2 109.325 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.419 ' N ' HD23 ' A' ' 33' ' ' LEU . 56.6 m95 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 72.14 107.992 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.999 -0.84 . . . . 72.41 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.31 77.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 0.733 . . . . 72.25 109.367 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.69 -32.9 70.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 71.33 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -71.21 -48.57 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 72.55 110.983 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -44.28 91.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.186 . . . . 73.34 109.305 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.61 -13.28 71.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 62.13 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -28.8 36.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 65.44 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.75 -27.5 68.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 73.31 109.345 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.0 -35.77 77.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.108 . . . . 63.1 110.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.87 -13.49 56.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 41.2 109.298 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 72.01 109.325 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.309 -0.626 . . . . 70.23 109.309 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -24.71 47.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 61.33 110.298 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 4.1 tt -59.92 -42.21 93.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 73.1 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -83.32 -33.17 25.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 75.42 109.325 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.65 -40.56 83.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 65.31 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.9 p-90 -85.95 -51.81 6.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.041 -1.096 . . . . 73.04 108.041 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.594 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.25 -19.77 9.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 73.14 109.255 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -54.95 -30.05 57.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 62.22 110.055 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -46.23 -34.99 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 72.12 109.328 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.766 ' N ' HD23 ' A' ' 33' ' ' LEU . 61.6 m95 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.951 -1.129 . . . . 74.23 107.951 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.844 . . . . 50.21 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.63 -19.24 63.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 74.12 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -68.78 -48.34 63.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 50.34 109.27 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.37 -45.84 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 63.33 110.999 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.6 -39.31 93.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 73.22 109.264 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.96 -14.38 80.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 63.11 111.042 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -74.66 -41.18 60.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 0.776 . . . . 75.25 111.024 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -60.86 -26.67 67.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 55.25 109.297 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.34 -28.0 54.21 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.461 1.1 . . . . 53.42 111.006 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.83 -25.51 37.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.799 . . . . 51.33 109.287 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 74.41 109.312 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.347 -0.612 . . . . 53.44 109.347 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.61 -24.87 49.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 70.34 110.28 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 4.0 tt -59.66 -42.46 92.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 52.54 109.244 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' SER . 47.0 t0 -83.24 -33.32 26.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 74.43 109.286 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.55 -40.63 83.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 70.54 109.267 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.598 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.9 p-90 -85.83 -51.9 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 71.32 108.018 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.598 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.14 -19.8 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 62.02 109.294 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' ASP . 4.8 t -55.28 -32.51 62.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 51.54 110.071 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -47.86 -34.92 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 72.11 109.269 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.584 ' N ' HD23 ' A' ' 33' ' ' LEU . 49.9 m95 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.98 -1.119 . . . . 72.33 107.98 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.028 -0.829 . . . . 64.53 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.11 -29.26 70.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 50.24 109.327 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -75.19 -36.22 61.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 63.03 109.29 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -68.71 -45.83 70.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 73.55 111.016 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.12 -42.47 96.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 73.32 109.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.58 -16.1 69.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 62.11 110.975 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -35.63 53.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 0.761 . . . . 73.11 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.17 -17.39 40.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 71.13 109.247 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.82 -31.26 79.19 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.457 1.098 . . . . 73.21 110.974 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.56 -4.17 58.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 71.11 109.356 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 74.42 109.337 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.309 -0.626 . . . . 62.24 109.309 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.19 -24.15 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 71.5 110.325 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -57.8 -49.73 75.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 63.3 109.267 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.95 -16.5 56.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 65.2 109.3 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -41.03 63.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 75.24 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 11.3 p-90 -85.86 -44.93 12.03 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.984 -1.117 . . . . 74.42 107.984 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.409 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -56.06 -21.99 24.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 53.33 109.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.83 -29.44 59.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 71.25 109.964 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.475 HD21 ' CE2' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -46.29 -28.42 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 75.23 109.252 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.475 ' CE2' HD21 ' A' ' 33' ' ' LEU . 44.2 m95 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 74.41 108.023 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.003 -0.839 . . . . 61.1 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.77 -26.21 57.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 63.24 109.269 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -72.71 -41.87 64.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 72.11 109.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.575 ' HD2' HD22 ' A' ' 7' ' ' LEU . 3.9 t80 -65.28 -44.17 88.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 64.51 111.033 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.575 HD22 ' HD2' ' A' ' 6' ' ' PHE . 2.3 mm? -57.67 -44.18 85.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 55.25 109.305 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.35 -11.06 64.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 71.22 110.999 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.04 -17.4 46.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 72.13 110.977 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.75 -15.89 63.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 53.41 109.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.26 -29.72 69.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 44.43 110.994 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.57 -22.58 28.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 43.31 109.27 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 71.3 109.32 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.321 -0.622 . . . . 74.25 109.321 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG2' ' CD ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -78.27 -24.15 46.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 74.31 110.315 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.4 tt -62.24 -40.98 97.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 73.24 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -83.32 -33.69 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 71.1 109.272 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' CD ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -58.87 -47.68 84.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 72.22 109.318 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.59 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.1 p-90 -76.73 -50.93 12.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 71.34 108.029 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.59 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.23 -19.69 8.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 74.13 109.351 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.9 OUTLIER -52.27 -26.17 11.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 73.23 109.979 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.914 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -50.52 -36.57 34.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 73.54 109.354 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.914 ' N ' HD23 ' A' ' 33' ' ' LEU . 77.6 m95 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 72.24 108.024 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.977 -0.849 . . . . 31.22 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.34 -19.3 45.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 0.771 . . . . 70.14 109.301 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -77.95 -39.24 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.1 109.359 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.51 ' HD1' HD22 ' A' ' 7' ' ' LEU . 33.7 t80 -72.59 -38.44 67.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 74.11 111.028 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD22 ' HD1' ' A' ' 6' ' ' PHE . 3.3 mm? -61.09 -49.58 76.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 72.44 109.322 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.83 -19.44 63.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.435 1.085 . . . . 75.24 111.034 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -28.82 52.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 65.24 110.94 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.446 HD21 ' CE1' ' A' ' 6' ' ' PHE . 42.8 mt -62.47 -28.37 69.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 73.33 109.335 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.2 -29.52 59.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 72.21 110.972 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.4 -19.37 31.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 44.31 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 70.44 109.347 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.374 -0.602 . . . . 72.34 109.374 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.6 -24.18 49.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 73.42 110.336 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.551 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -59.02 -49.58 77.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 71.1 109.267 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -16.76 55.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 75.2 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -40.93 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 75.22 109.281 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.551 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.8 p-90 -85.6 -44.17 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 75.13 108.035 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.69 -23.9 54.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 63.31 109.286 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -54.82 -23.04 16.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 71.11 110.062 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.625 HD23 ' H ' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -51.24 -32.04 22.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 75.42 109.264 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.625 ' H ' HD23 ' A' ' 33' ' ' LEU . 66.1 m95 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 73.2 108.032 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.594 ' O ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.067 0 N-CA-C 110.966 -0.854 . . . . 72.11 110.966 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.91 -32.85 74.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 0.816 . . . . 64.24 109.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.24 -48.16 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 63.32 109.325 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CE2' HD21 ' A' ' 10' ' ' LEU . 19.4 t80 -55.17 -36.34 65.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 75.22 111.009 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 3' ' ' GLY . 3.6 mm? -63.25 -42.22 99.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 72.42 109.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.57 -14.63 82.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 74.44 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.63 -27.78 51.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 71.32 111.047 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.497 HD21 ' CE2' ' A' ' 6' ' ' PHE . 9.0 mt -64.13 -14.82 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 75.52 109.341 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.41 -32.41 81.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 75.2 111.029 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.5 1.32 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 53.44 109.293 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.524 1.14 . . . . 54.03 109.255 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.289 -0.634 . . . . 75.14 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.27 -24.1 46.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 62.24 110.266 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -50.4 -48.51 55.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 73.35 109.267 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.525 ' HA ' ' HB3' ' A' ' 31' ' ' ALA . 7.0 t0 -79.66 -34.7 40.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 70.03 109.312 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -38.49 63.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 63.04 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 5.0 p-90 -85.75 -47.68 9.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 73.22 108.044 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.569 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.69 -19.38 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 65.11 109.284 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' ASP . 9.0 p -57.5 -31.29 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 73.34 110.02 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -47.11 -28.96 1.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.445 1.091 . . . . 73.12 109.273 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.413 ' N ' HD23 ' A' ' 33' ' ' LEU . 46.2 m95 . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 71.11 108.014 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 64.51 111.023 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.76 80.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 0.781 . . . . 74.23 109.28 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -33.62 60.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 62.35 109.303 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.54 -49.86 75.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 74.43 110.967 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 7' ' ' LEU . 2.1 mm? -54.17 -44.87 71.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 75.34 109.243 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.02 -17.77 72.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 63.14 111.005 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -32.08 57.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 65.23 111.002 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.4 mt -63.95 -16.71 62.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 73.2 109.259 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.06 -37.28 94.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.525 1.141 . . . . 62.41 111.052 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.59 -21.07 52.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.776 . . . . 51.31 109.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 74.35 109.32 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.245 -0.65 . . . . 74.21 109.245 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -78.18 -23.82 47.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 63.44 110.336 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.56 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.6 tm? -62.46 -48.79 78.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 63.42 109.266 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -78.1 -18.59 55.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 73.34 109.359 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -73.83 -43.49 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 75.51 109.315 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.547 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 5.7 p-90 -85.78 -55.44 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.025 -1.102 . . . . 73.32 108.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 27' ' ' LEU . . . -53.72 -20.83 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 51.13 109.269 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -51.6 -35.33 41.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 63.24 110.004 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.845 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.56 -37.35 7.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 54.2 109.278 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.845 ' N ' HD23 ' A' ' 33' ' ' LEU . 52.9 m95 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 75.3 108.04 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.027 -0.829 . . . . 44.4 111.027 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.7 65.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 73.2 109.286 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -45.37 66.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 72.44 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -72.82 -40.98 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 65.12 110.993 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.26 -37.27 83.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 73.23 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.93 -9.1 75.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.412 1.07 . . . . 51.42 110.977 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -81.5 -39.25 25.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.797 . . . . 62.43 111.028 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 9.9 mt -57.28 -29.72 64.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 63.12 109.291 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.2 -35.05 63.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.155 . . . . 73.24 110.964 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.16 -14.49 58.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 62.32 109.274 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 74.4 109.289 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.6 tp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.282 -0.636 . . . . 74.15 109.282 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.19 -23.99 47.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 74.23 110.265 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.6 tm? -62.28 -48.87 78.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 63.2 109.322 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 32' ' ' SER . 4.5 m-20 -78.17 -18.57 55.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 71.22 109.336 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -43.45 58.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.23 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.551 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 5.9 p-90 -85.95 -55.33 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.012 -1.107 . . . . 75.52 108.012 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 30' ' ' TRP . . . -53.75 -20.8 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 61.41 109.301 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -51.45 -35.29 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 71.21 110.036 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.797 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.68 -43.16 17.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 74.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.797 ' H ' HD23 ' A' ' 33' ' ' LEU . 64.3 m95 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 73.53 108.006 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.007 -0.837 . . . . 32.35 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.36 -32.21 66.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 44.21 109.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -48.47 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 71.32 109.31 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' HD1' HD22 ' A' ' 7' ' ' LEU . 30.6 t80 -56.54 -38.05 71.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 71.31 111.077 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.402 HD22 ' HD1' ' A' ' 6' ' ' PHE . 1.6 mm? -66.69 -38.55 87.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 73.51 109.278 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.93 -17.87 77.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 72.25 111.005 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -78.55 -14.6 59.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 74.54 111.037 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 80.8 mt -67.15 -22.04 65.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 70.31 109.345 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.02 -41.3 97.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 71.23 110.987 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.05 4.86 36.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 44.53 109.286 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 75.22 109.288 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.29 -0.633 . . . . 54.23 109.29 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.474 ' HG2' ' CD ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -67.87 -27.09 66.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 61.23 110.303 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.1 tt -59.84 -43.51 94.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 73.54 109.324 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' SER . 28.1 t70 -83.4 -33.01 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 55.24 109.3 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' CD ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -59.75 -40.16 87.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 60.02 109.282 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.606 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 1.7 p-90 -85.87 -49.92 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 75.42 108.029 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.606 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.71 -19.06 24.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 73.33 109.339 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -56.08 -26.77 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 52.22 110.011 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -50.23 -40.32 47.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 72.5 109.283 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.704 ' N ' HD23 ' A' ' 33' ' ' LEU . 79.8 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 75.43 108.016 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.04 -0.824 . . . . 65.02 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.43 -20.23 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 0.802 . . . . 64.14 109.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -78.8 -32.85 46.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 75.53 109.269 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.774 ' CD1' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.94 -35.49 62.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.195 . . . . 74.33 111.055 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.774 HD22 ' CD1' ' A' ' 6' ' ' PHE . 2.4 mm? -53.3 -52.62 58.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.11 109.338 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.38 -19.34 62.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.57 1.169 . . . . 64.42 110.964 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.21 -24.99 51.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 73.45 111.013 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.406 HD21 ' HE2' ' A' ' 6' ' ' PHE . 92.3 mt -53.74 -25.63 19.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 72.42 109.336 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.61 95.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.44 1.088 . . . . 73.02 111.031 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.98 -12.78 52.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 65.1 109.339 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 43.44 109.276 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.277 -0.638 . . . . 74.22 109.277 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -77.34 -24.24 50.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 72.51 110.301 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 1.4 tt -61.92 -46.76 87.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 72.14 109.3 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.83 -18.19 51.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 75.41 109.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -73.43 -44.0 59.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.12 109.268 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.557 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.9 p-90 -84.05 -47.91 10.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.932 -1.136 . . . . 75.23 107.932 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.514 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -58.53 -21.83 53.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 71.52 109.312 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -56.16 -22.29 27.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 61.54 110.007 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.575 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -53.24 -34.8 58.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 73.24 109.322 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.575 ' H ' HD23 ' A' ' 33' ' ' LEU . 55.9 m95 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 73.34 107.999 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 110.967 -0.853 . . . . 71.1 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.79 -28.23 65.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 73.21 109.28 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -38.66 71.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 73.13 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.775 ' CE1' HD21 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -74.94 -41.6 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 74.41 111.028 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -52.38 -52.47 53.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.13 109.328 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.03 -19.95 66.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.57 1.169 . . . . 75.04 110.987 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.3 -14.49 58.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 71.03 110.984 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.775 HD21 ' CE1' ' A' ' 6' ' ' PHE . 86.8 mt -67.91 -20.9 65.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 53.33 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.48 -38.11 93.08 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.539 1.149 . . . . 70.03 110.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.1 6.5 36.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.79 . . . . 73.11 109.182 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.444 1.09 . . . . 63.13 109.355 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.284 -0.635 . . . . 63.22 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -77.6 -24.74 49.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.422 1.076 . . . . 71.31 110.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.555 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 7.7 tt -60.72 -46.15 91.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 61.5 109.316 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -80.53 -20.03 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.01 109.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -70.98 -43.95 66.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 50.41 109.288 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.1 p-90 -83.55 -46.45 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.2 107.999 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.492 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -58.19 -19.78 36.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 61.04 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -27.14 42.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 71.35 110.012 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.738 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -52.67 -34.51 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 71.21 109.314 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.738 ' N ' HD23 ' A' ' 33' ' ' LEU . 80.5 m95 . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 107.985 -1.117 . . . . 70.4 107.985 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.974 -0.851 . . . . 74.42 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.35 -24.03 59.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 62.34 109.251 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.83 -45.57 70.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.41 109.299 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.519 ' CE2' HD21 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.87 -41.68 59.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.581 1.176 . . . . 75.5 110.981 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -52.37 -49.7 63.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 74.13 109.354 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.11 -17.6 59.21 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 63.23 110.946 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.63 -21.44 38.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.779 . . . . 73.33 110.99 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.519 HD21 ' CE2' ' A' ' 6' ' ' PHE . 86.7 mt -68.0 -22.31 65.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 50.45 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.19 -39.79 92.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.423 1.077 . . . . 71.41 110.99 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.35 -25.83 51.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 0.78 . . . . 65.02 109.277 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 64.33 109.282 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.273 -0.64 . . . . 63.33 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -24.94 52.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 63.52 110.263 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.4 tt -60.39 -46.93 88.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 52.21 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -80.2 -20.32 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 71.24 109.317 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -42.76 70.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 65.42 109.373 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.9 p-90 -84.99 -45.37 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 62.53 108.026 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -59.48 -20.86 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 71.31 109.269 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.94 -26.68 60.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 62.21 109.95 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -52.29 -33.31 41.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 72.12 109.355 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.583 ' N ' HD23 ' A' ' 33' ' ' LEU . 62.2 m95 . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 107.978 -1.119 . . . . 75.44 107.978 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.024 -0.83 . . . . 43.05 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.03 -31.68 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 62.14 109.215 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.583 ' O ' HD23 ' A' ' 7' ' ' LEU . . . -76.7 -33.43 47.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 53.3 111.041 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.83 67.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 73.45 109.281 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -66.85 -42.12 86.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 71.31 109.297 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.429 ' CD2' ' C ' ' A' ' 6' ' ' PHE . 6.6 t80 -68.18 -45.32 73.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 75.33 110.963 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 3' ' ' GLY . 2.6 mm? -55.24 -41.75 72.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 62.21 109.314 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.95 -15.93 78.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.511 1.132 . . . . 44.54 111.004 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -32.45 57.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.345 0.674 . . . . 65.2 110.966 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 22.8 mt -60.21 -29.13 68.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 71.34 109.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.22 -36.68 89.81 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.482 1.114 . . . . 73.43 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.42 -9.1 53.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 0.726 . . . . 34.4 109.265 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . -74.39 -13.42 60.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 64.04 109.327 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.56 -27.3 73.89 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.484 1.115 . . . . 72.44 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.18 32.57 2.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 53.02 109.941 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 2.9 ttmp? -51.2 -55.58 17.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 71.22 109.337 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 73.23 109.312 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.295 -0.631 . . . . 64.21 109.295 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -111.71 141.65 45.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 62.14 109.314 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -15.41 39.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 53.32 110.235 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.407 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -55.8 -28.49 56.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 63.33 110.276 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -67.33 -27.95 67.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 72.51 110.29 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.598 HD22 HD13 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -43.74 -28.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 63.13 109.38 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.04 -48.76 11.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.551 1.157 . . . . 70.11 109.31 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -77.32 -24.67 50.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 72.32 110.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.598 HD13 HD22 ' A' ' 24' ' ' LEU . 8.4 tt -60.88 -47.7 85.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 74.23 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -79.89 -17.68 52.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 70.21 109.351 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -73.52 -43.37 60.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 52.51 109.315 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.7 p-90 -84.24 -43.83 14.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.988 -1.115 . . . . 75.23 107.988 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.461 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -63.4 -24.71 67.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 52.34 109.344 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -51.27 -24.95 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 61.42 110.01 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.653 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -53.12 -39.52 63.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 73.53 109.343 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.653 ' H ' HD23 ' A' ' 33' ' ' LEU . 63.7 m95 -50.58 -56.65 10.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.023 -1.103 . . . . 74.03 108.023 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 73.01 109.337 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 110.979 -0.848 . . . . 75.34 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -25.86 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 74.15 109.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.61 -40.11 69.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.445 1.09 . . . . 61.12 111.056 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.49 -30.42 62.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 73.2 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.35 -44.64 74.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 70.4 109.312 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -64.48 -43.8 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 62.32 110.963 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD13 HD12 ' A' ' 10' ' ' LEU . 2.6 mm? -56.35 -47.57 78.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 72.44 109.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.93 -18.22 70.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.462 1.101 . . . . 64.21 111.017 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.17 -27.05 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 75.01 111.034 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 HD12 HD13 ' A' ' 7' ' ' LEU . 95.5 mt -60.42 -16.27 34.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 75.34 109.332 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.54 -33.39 76.58 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 44.3 111.035 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.12 -14.13 39.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 0.716 . . . . 73.45 109.344 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.85 4.48 25.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 73.31 109.262 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.72 67.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.54 1.15 . . . . 64.21 110.989 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.7 14.34 25.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 0.796 . . . . 73.41 109.996 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -28.3 46.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 65.01 109.322 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.553 0 O-C-N 124.54 1.15 . . . . 63.14 109.317 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ACA . . . . . 0.443 ' C4 ' ' N ' ' A' ' 19' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' N ' ' C4 ' ' A' ' 18' ' ' ACA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.311 -0.625 . . . . 72.44 109.311 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -111.76 144.06 41.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.177 . . . . 71.12 109.261 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -15.45 34.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 70.41 110.278 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -28.46 56.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 73.44 110.298 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.465 ' OE1' HD23 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -68.06 -26.47 65.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 74.35 110.328 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.62 -52.95 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.51 109.252 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 tp -52.78 -36.1 57.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.416 1.072 . . . . 75.21 109.287 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.5 mt-10 -77.93 -24.29 48.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 64.21 110.262 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -59.03 -49.07 79.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 73.23 109.242 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 32' ' ' SER . 35.2 t0 -79.21 -21.35 46.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 74.25 109.368 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -41.29 77.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 74.51 109.284 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.1 p-90 -85.83 -50.28 7.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 73.43 107.954 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.23 -23.18 46.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 34.41 109.246 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -54.39 -27.86 39.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 72.43 110.001 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -49.93 -34.64 21.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 51.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.458 ' H ' HD23 ' A' ' 33' ' ' LEU . 54.5 m95 -68.19 -56.74 7.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 75.21 108.021 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 64.21 109.319 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.997 -0.841 . . . . 71.14 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 tt -50.56 -36.82 14.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 43.04 109.306 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.54 -46.02 92.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.156 . . . . 63.24 110.981 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.53 -34.98 74.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 42.54 109.281 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.3 -38.36 84.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 54.33 109.285 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -67.71 -52.02 42.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 74.32 110.998 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.6 -38.43 87.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 74.34 109.302 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.84 -14.36 80.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 75.21 111.03 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -74.21 -38.0 63.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 61.31 110.999 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' ALA . 20.5 mt -62.93 -34.67 77.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 75.03 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.49 -27.79 13.01 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.127 . . . . 52.23 110.991 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.82 -26.19 25.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.796 . . . . 50.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.62 -21.32 60.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 71.41 109.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.84 -7.54 83.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 73.22 111.022 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 t -91.7 11.22 25.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.747 . . . . 71.54 109.953 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -10.57 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 73.33 109.27 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 tttt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 73.0 109.323 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.273 -0.639 . . . . 72.34 109.273 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -87.01 150.15 24.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 75.52 109.287 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -13.87 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 71.3 110.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -28.43 57.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 75.11 110.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.41 -27.76 67.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 63.21 110.287 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.76 -31.4 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 65.25 109.329 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -47.53 65.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 71.01 109.338 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.97 -24.75 52.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 74.34 110.299 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.543 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.2 tt -59.57 -49.0 79.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 60.12 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.25 -17.05 55.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 63.21 109.313 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -73.62 -41.89 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 73.43 109.331 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.4 p-90 -85.71 -40.96 15.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 72.42 107.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.38 -20.12 65.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 43.3 109.357 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -27.19 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 74.51 109.946 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.759 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -47.98 -41.08 24.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 74.4 109.331 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.759 ' H ' HD23 ' A' ' 33' ' ' LEU . 68.0 m95 -53.36 -59.75 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 74.44 107.993 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.592 1.182 . . . . 74.04 109.348 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.044 -0.822 . . . . 75.55 111.044 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -36.0 69.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 74.52 109.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.91 -34.88 57.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 74.22 111.02 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.43 -27.41 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 0.733 . . . . 55.33 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 5' ' ' LEU . 4.7 tp -72.26 -34.87 68.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.428 1.08 . . . . 71.53 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.643 ' HD2' HD22 ' A' ' 7' ' ' LEU . 1.9 t80 -74.05 -41.39 61.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.22 110.958 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.643 HD22 ' HD2' ' A' ' 6' ' ' PHE . 3.6 mm? -62.99 -41.94 99.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 73.31 109.305 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.76 -13.65 69.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.148 . . . . 55.13 110.99 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.84 -34.46 30.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 74.13 111.006 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.7 mt -56.42 -21.85 27.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 64.43 109.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.85 -36.8 88.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 24.32 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.67 -14.97 55.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 74.04 109.317 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.26 19.86 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 21.55 109.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.75 -18.32 73.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 72.13 110.955 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.79 -24.02 19.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 51.44 110.052 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.8 -53.93 7.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 74.41 109.325 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 pttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 74.12 109.286 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.297 -0.631 . . . . 72.31 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.413 ' ND2' ' HG2' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -111.7 140.59 46.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 74.01 109.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -15.56 25.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 74.52 110.334 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -55.8 -28.44 56.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 74.41 110.316 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLU . 24.7 tt0 -68.04 -26.7 66.01 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.092 . . . . 74.31 110.282 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.32 -38.17 3.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 75.34 109.338 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.12 -44.89 79.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 73.21 109.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' GLU . 1.1 mt-10 -77.81 -24.38 48.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.594 1.184 . . . . 63.24 110.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.0 tt -60.09 -44.36 94.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 63.01 109.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -22.28 35.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 74.52 109.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -41.75 78.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 54.3 109.362 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.0 p-90 -85.66 -45.81 11.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 61.23 107.964 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -59.14 -19.03 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 31.45 109.259 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -60.68 -23.14 64.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 70.13 109.924 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -48.11 -39.79 21.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 72.32 109.306 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.644 ' H ' HD23 ' A' ' 33' ' ' LEU . 57.8 m95 -55.65 -57.26 12.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 73.34 107.963 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 70.54 109.329 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.039 -0.824 . . . . 74.21 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.65 -30.5 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 74.22 109.338 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.448 ' O ' HD23 ' A' ' 7' ' ' LEU . . . -58.92 -38.85 93.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.447 1.092 . . . . 74.41 110.949 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.39 75.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 62.21 109.345 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -73.32 -33.72 65.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 51.15 109.286 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -69.03 -46.3 68.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 71.21 111.049 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 3' ' ' GLY . 4.2 mm? -57.78 -34.87 70.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 71.44 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.65 -12.86 81.05 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.549 1.156 . . . . 72.11 111.04 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -31.47 54.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 73.02 110.971 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 66.5 mt -57.05 -28.75 62.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 73.42 109.356 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.29 -34.19 83.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 60.13 110.986 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.39 4.81 44.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 71.44 109.321 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . -65.75 -33.48 75.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 70.35 109.281 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.52 -17.35 62.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 63.21 111.032 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -97.11 13.73 28.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.765 . . . . 52.33 110.033 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -29.02 5.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.176 . . . . 73.43 109.286 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 63.3 109.286 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mttp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.286 -0.635 . . . . 65.23 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -86.68 139.45 30.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 62.11 109.355 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -17.48 26.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 74.2 110.25 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -28.4 56.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 73.15 110.239 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLU . 2.6 tm-20 -68.38 -27.04 65.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 72.32 110.284 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -43.54 -45.44 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 62.44 109.301 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.59 -43.1 56.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 62.22 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -77.28 -24.17 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 71.33 110.36 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.6 tt -58.09 -44.17 87.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 62.34 109.307 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -81.68 -24.19 36.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 60.03 109.27 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -66.55 -42.2 87.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 70.55 109.246 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.1 p-90 -85.61 -48.44 8.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.007 -1.109 . . . . 61.31 108.007 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.508 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -59.17 -21.21 59.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 63.32 109.336 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -55.37 -25.82 37.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 71.43 109.995 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.526 HD21 ' CE2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -48.43 -24.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 73.34 109.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.526 ' CE2' HD21 ' A' ' 33' ' ' LEU . 56.4 m95 -76.87 -61.25 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 74.33 108.023 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 74.22 109.262 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.937 -0.865 . . . . 54.15 110.937 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.7 mt -47.7 -44.9 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.425 0.721 . . . . 70.22 109.262 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.64 -36.1 92.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 64.13 110.966 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.22 69.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 75.25 109.261 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -42.67 81.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 70.33 109.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.413 ' HD2' HD22 ' A' ' 7' ' ' LEU . 7.5 t80 -72.72 -35.31 67.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 75.13 110.997 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.413 HD22 ' HD2' ' A' ' 6' ' ' PHE . 1.9 mm? -63.35 -49.95 71.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 72.14 109.25 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.7 -10.82 51.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 72.23 110.932 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -30.8 48.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 70.33 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 mt -58.18 -24.62 59.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 61.21 109.262 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.78 -39.72 47.72 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.479 1.112 . . . . 54.14 110.99 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.62 -24.36 49.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 0.823 . . . . 55.25 109.304 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.14 -9.3 59.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 62.13 109.314 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -87.07 9.49 72.33 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.514 1.134 . . . . 52.33 110.987 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -85.29 -6.76 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 64.01 110.018 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -52.64 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 74.54 109.339 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 73.24 109.325 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.319 -0.622 . . . . 72.5 109.319 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -94.99 148.36 22.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 62.34 109.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -13.86 25.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 45.41 110.373 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -28.43 57.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 74.41 110.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' GLU . 14.1 tt0 -66.8 -26.32 66.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 73.23 110.254 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -45.68 -51.29 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 74.51 109.268 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -35.46 49.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 71.33 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' GLU . 27.7 mt-10 -77.69 -24.24 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 70.45 110.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -59.2 -48.99 79.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 72.5 109.375 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.86 -17.67 52.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 75.53 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -40.83 64.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 71.23 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.557 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.8 p-90 -85.67 -44.79 12.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 73.13 108.001 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.421 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -54.75 -25.07 25.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.383 1.052 . . . . 72.34 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 34' ' ' TRP . 3.2 m -55.8 -33.51 64.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 74.01 109.972 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.746 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -47.39 -25.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 72.52 109.25 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.746 ' N ' HD23 ' A' ' 33' ' ' LEU . 59.5 m95 -68.78 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 71.14 107.99 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 62.11 109.32 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 N-CA-C 110.99 -0.844 . . . . 45.54 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -85.05 -25.21 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.602 0.825 . . . . 72.43 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.04 -32.71 81.29 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.503 1.127 . . . . 51.44 111.016 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.43 -30.23 69.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 74.03 109.326 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.11 -35.91 71.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 73.22 109.279 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -72.9 -43.56 62.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 50.21 111.027 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.34 -44.2 97.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 60.21 109.323 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.47 -16.12 64.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 34.15 111.027 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -38.92 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 72.22 111.022 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.14 -29.23 69.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 71.34 109.313 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.09 -32.78 36.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.569 1.168 . . . . 75.23 110.973 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.35 -21.89 33.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 71.11 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.93 5.15 26.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 74.34 109.29 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.3 -21.97 68.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 53.14 111.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.5 p -103.17 -26.11 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 71.01 110.032 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -25.33 43.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 65.42 109.291 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tttt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 75.12 109.324 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.315 -0.624 . . . . 70.33 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -79.83 152.18 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 73.42 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -14.06 22.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 74.33 110.33 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -56.02 -28.51 57.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 72.31 110.315 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLU . 52.7 tt0 -66.95 -25.99 66.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 43.12 110.271 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -46.36 -54.76 8.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 73.23 109.225 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -27.06 65.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 74.24 109.283 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 1.2 mt-10 -78.2 -24.28 47.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 74.5 110.25 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -58.81 -49.72 76.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 64.22 109.314 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.13 -17.26 55.39 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 74.5 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -73.32 -40.98 64.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.22 109.325 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 9.5 p-90 -85.74 -46.31 10.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 71.33 108.094 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -56.25 -19.37 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 65.44 109.282 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -56.23 -31.52 63.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 75.5 110.032 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.536 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -47.82 -30.52 4.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.48 1.113 . . . . 55.55 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.536 ' N ' HD23 ' A' ' 33' ' ' LEU . 43.4 m95 -63.01 -54.73 33.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.975 -1.12 . . . . 75.51 107.975 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 73.13 109.331 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.922 0 N-CA-C 111.034 -0.827 . . . . 51.25 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tt -58.15 -43.38 85.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.418 0.717 . . . . 72.22 109.317 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.56 -37.91 90.0 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 72.11 111.007 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.4 -34.28 76.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 73.31 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -35.03 63.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 60.12 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -69.66 -41.51 75.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 75.23 111.002 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.58 -44.03 91.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 71.11 109.329 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.58 -12.74 64.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 60.53 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -34.22 50.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 0.813 . . . . 55.22 111.002 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 47.3 mt -61.69 -19.94 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.52 109.345 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.09 86.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.126 . . . . 70.32 110.944 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.48 -10.02 55.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 63.05 109.298 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . -76.69 -7.66 55.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 73.12 109.294 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.08 15.79 62.67 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.551 1.157 . . . . 73.34 111.04 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.3 t -101.05 13.77 34.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.74 . . . . 71.04 109.989 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.44 -34.91 75.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 74.52 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.8 mttm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 73.31 109.271 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.345 -0.613 . . . . 53.04 109.345 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.11 148.58 28.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 74.33 109.338 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -13.83 31.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 61.21 110.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -28.42 59.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 63.31 110.268 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLU . 13.0 tt0 -67.24 -25.18 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 72.43 110.247 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -46.99 -47.47 21.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 63.45 109.308 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.26 -31.22 72.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 75.02 109.263 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -78.2 -24.11 47.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 62.34 110.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -56.77 -49.73 74.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 72.31 109.304 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 32' ' ' SER . 4.8 t0 -78.22 -32.13 49.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 73.35 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -56.69 -44.02 81.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 74.42 109.312 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 5.7 p-90 -80.52 -49.25 11.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 74.35 107.988 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.555 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.65 -19.38 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 71.24 109.258 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -56.99 -30.59 64.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.458 1.099 . . . . 61.24 109.969 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -47.11 -27.26 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 63.2 109.325 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.419 ' N ' HD23 ' A' ' 33' ' ' LEU . 56.6 m95 -69.95 -60.18 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 72.14 107.992 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 75.14 109.282 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.007 -0.837 . . . . 74.45 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mt -72.4 -41.3 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 75.51 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.6 -36.09 92.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 72.41 110.999 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.31 77.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 0.733 . . . . 72.25 109.367 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.69 -32.9 70.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 71.33 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -71.21 -48.57 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 72.55 110.983 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -44.28 91.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.186 . . . . 73.34 109.305 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.61 -13.28 71.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 62.13 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -28.8 36.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 65.44 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.75 -27.5 68.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 73.31 109.345 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.0 -35.77 77.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.108 . . . . 63.1 110.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.87 -13.49 56.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 41.2 109.298 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.98 -8.16 58.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 72.01 109.325 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.88 -14.22 73.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 50.33 111.004 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -107.38 -10.53 15.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 63.21 109.962 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.51 -46.7 86.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 74.14 109.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 71.11 109.258 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.318 -0.623 . . . . 71.1 109.318 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -104.79 143.66 32.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 63.41 109.26 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -15.34 19.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 52.13 110.251 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -28.37 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.55 110.272 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' GLU . 21.6 tp10 -67.75 -24.99 65.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 74.4 110.261 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -47.01 -30.75 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 65.55 109.274 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.61 -42.52 95.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 70.23 109.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -78.17 -24.71 47.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 61.33 110.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 4.1 tt -59.92 -42.21 93.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 73.1 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -83.32 -33.17 25.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 75.42 109.325 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.65 -40.56 83.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 65.31 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.9 p-90 -85.95 -51.81 6.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.041 -1.096 . . . . 73.04 108.041 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.594 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.25 -19.77 9.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 73.14 109.255 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -54.95 -30.05 57.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 62.22 110.055 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -46.23 -34.99 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 72.12 109.328 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.766 ' N ' HD23 ' A' ' 33' ' ' LEU . 61.6 m95 -58.98 -65.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.951 -1.129 . . . . 74.23 107.951 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 74.53 109.265 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.985 -0.846 . . . . 52.44 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.409 ' H ' HD12 ' A' ' 2' ' ' ILE . 3.5 mp -62.02 -52.55 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 54.14 109.318 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.74 -42.45 91.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 50.21 110.991 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.63 -19.24 63.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 74.12 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -68.78 -48.34 63.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 50.34 109.27 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.37 -45.84 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 63.33 110.999 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.6 -39.31 93.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 73.22 109.264 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.96 -14.38 80.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 63.11 111.042 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -74.66 -41.18 60.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 0.776 . . . . 75.25 111.024 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -60.86 -26.67 67.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 55.25 109.297 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.34 -28.0 54.21 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.461 1.1 . . . . 53.42 111.006 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.83 -25.51 37.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.799 . . . . 51.33 109.287 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.84 -43.58 65.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 74.41 109.312 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.69 13.84 66.44 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.507 1.129 . . . . 64.52 110.972 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -76.5 -2.41 32.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 54.25 109.96 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -10.31 57.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 65.02 109.34 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 73.12 109.315 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.366 -0.605 . . . . 73.24 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -102.53 150.44 23.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 55.22 109.327 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -13.61 50.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 64.45 110.263 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -56.14 -29.63 61.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 73.44 110.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLU . 5.4 tm-20 -65.37 -25.24 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 73.22 110.286 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -48.09 -44.07 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 75.21 109.315 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.37 -28.16 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 53.44 109.347 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.6 mt-10 -77.61 -24.87 49.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 70.34 110.28 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 4.0 tt -59.66 -42.46 92.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 52.54 109.244 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' SER . 47.0 t0 -83.24 -33.32 26.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 74.43 109.286 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.55 -40.63 83.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 70.54 109.267 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.598 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.9 p-90 -85.83 -51.9 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 71.32 108.018 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.598 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.14 -19.8 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 62.02 109.294 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' ASP . 4.8 t -55.28 -32.51 62.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 51.54 110.071 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -47.86 -34.92 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 72.11 109.269 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.584 ' N ' HD23 ' A' ' 33' ' ' LEU . 49.9 m95 -62.92 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.98 -1.119 . . . . 72.33 107.98 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 72.33 109.346 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.024 -0.831 . . . . 61.02 111.024 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.7 mt -59.8 -49.8 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 63.41 109.314 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.35 -33.96 88.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 64.53 111.028 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.11 -29.26 70.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 50.24 109.327 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -75.19 -36.22 61.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 63.03 109.29 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -68.71 -45.83 70.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 73.55 111.016 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.12 -42.47 96.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 73.32 109.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.58 -16.1 69.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 62.11 110.975 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -35.63 53.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 0.761 . . . . 73.11 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.17 -17.39 40.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 71.13 109.247 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.82 -31.26 79.19 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.457 1.098 . . . . 73.21 110.974 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.56 -4.17 58.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 71.11 109.356 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.75 -23.8 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 74.42 109.337 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.54 9.03 71.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 65.02 110.966 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -119.04 16.48 13.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 0.808 . . . . 42.33 110.038 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -65.5 -41.79 92.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.15 109.268 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 73.31 109.361 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 mttp . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.274 -0.639 . . . . 55.42 109.274 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.03 148.32 24.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 71.12 109.234 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -13.62 62.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 71.33 110.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -57.37 -28.39 63.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 74.02 110.314 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' GLU . 3.5 tt0 -67.41 -22.98 65.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 72.3 110.327 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -49.73 -25.26 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 73.42 109.292 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -40.3 62.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 62.24 109.309 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -78.19 -24.15 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 71.5 110.325 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -57.8 -49.73 75.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 63.3 109.267 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.95 -16.5 56.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 65.2 109.3 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -41.03 63.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 75.24 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 11.3 p-90 -85.86 -44.93 12.03 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.984 -1.117 . . . . 74.42 107.984 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -56.06 -21.99 24.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 53.33 109.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.83 -29.44 59.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 71.25 109.964 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.475 HD21 ' CE2' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -46.29 -28.42 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 75.23 109.252 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.475 ' CE2' HD21 ' A' ' 33' ' ' LEU . 44.2 m95 -70.89 -51.03 28.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 74.41 108.023 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 60.21 109.294 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.02 -0.832 . . . . 20.22 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.2 mt -54.75 -28.89 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 64.54 109.284 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.71 -32.7 58.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.143 . . . . 61.1 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.77 -26.21 57.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 63.24 109.269 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -72.71 -41.87 64.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 72.11 109.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.575 ' HD2' HD22 ' A' ' 7' ' ' LEU . 3.9 t80 -65.28 -44.17 88.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 64.51 111.033 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.575 HD22 ' HD2' ' A' ' 6' ' ' PHE . 2.3 mm? -57.67 -44.18 85.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 55.25 109.305 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.35 -11.06 64.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 71.22 110.999 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.04 -17.4 46.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 72.13 110.977 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.75 -15.89 63.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 53.41 109.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.26 -29.72 69.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 44.43 110.994 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.57 -22.58 28.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 43.31 109.27 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.1 -10.14 59.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 71.3 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -87.14 11.56 64.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.113 . . . . 64.21 111.045 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.47 15.42 9.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 61.02 110.023 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -58.67 -18.86 34.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 71.5 109.327 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 65.31 109.298 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.28 -0.637 . . . . 53.32 109.28 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -111.69 140.83 46.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 62.12 109.354 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -15.35 19.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 74.12 110.261 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -28.42 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 71.53 110.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' GLU . 7.4 tm-20 -67.83 -26.43 66.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 73.32 110.325 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.85 -56.59 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 74.14 109.283 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -30.46 64.99 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.511 1.132 . . . . 74.25 109.321 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -78.27 -24.15 46.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 74.31 110.315 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.4 tt -62.24 -40.98 97.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 73.24 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -83.32 -33.69 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 71.1 109.272 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' CD ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -58.87 -47.68 84.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 72.22 109.318 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.59 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.1 p-90 -76.73 -50.93 12.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 71.34 108.029 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.59 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.23 -19.69 8.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 74.13 109.351 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.9 OUTLIER -52.27 -26.17 11.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 73.23 109.979 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.914 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -50.52 -36.57 34.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 73.54 109.354 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.914 ' N ' HD23 ' A' ' 33' ' ' LEU . 77.6 m95 -56.07 -53.11 60.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 72.24 108.024 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.9 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 75.4 109.25 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.035 -0.826 . . . . 73.2 111.035 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.6 mt -80.7 -57.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 74.14 109.32 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.41 -42.92 90.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 31.22 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.34 -19.3 45.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 0.771 . . . . 70.14 109.301 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -77.95 -39.24 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.1 109.359 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.51 ' HD1' HD22 ' A' ' 7' ' ' LEU . 33.7 t80 -72.59 -38.44 67.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 74.11 111.028 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD22 ' HD1' ' A' ' 6' ' ' PHE . 3.3 mm? -61.09 -49.58 76.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 72.44 109.322 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.83 -19.44 63.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.435 1.085 . . . . 75.24 111.034 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -28.82 52.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 65.24 110.94 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.446 HD21 ' CE1' ' A' ' 6' ' ' PHE . 42.8 mt -62.47 -28.37 69.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 73.33 109.335 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.2 -29.52 59.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 72.21 110.972 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.4 -19.37 31.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 44.31 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.11 -38.26 27.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 70.44 109.347 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.37 25.6 17.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 73.04 110.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.97 -21.03 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 71.15 110.021 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -74.67 -51.75 13.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 63.03 109.334 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 55.44 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.345 -0.613 . . . . 71.3 109.345 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -102.13 154.2 19.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 74.3 109.313 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -13.47 61.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 70.1 110.294 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.14 -28.7 62.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 72.24 110.344 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' GLU . 10.5 tt0 -67.05 -23.01 65.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 74.55 110.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -50.16 -23.51 2.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 65.34 109.287 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -74.09 -38.56 63.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 72.34 109.374 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.6 mt-10 -77.6 -24.18 49.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 73.42 110.336 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.551 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -59.02 -49.58 77.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 71.1 109.267 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -16.76 55.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 75.2 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -40.93 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 75.22 109.281 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.551 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.8 p-90 -85.6 -44.17 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 75.13 108.035 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.424 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.69 -23.9 54.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 63.31 109.286 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -54.82 -23.04 16.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 71.11 110.062 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.625 HD23 ' H ' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -51.24 -32.04 22.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 75.42 109.264 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.625 ' H ' HD23 ' A' ' 33' ' ' LEU . 66.1 m95 -63.25 -61.42 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 73.2 108.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 74.55 109.259 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.967 -0.853 . . . . 43.2 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -25.56 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 73.1 109.35 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.594 ' O ' HD23 ' A' ' 7' ' ' LEU . . . -53.47 -36.94 54.92 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.555 1.159 . . . . 72.11 110.966 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.91 -32.85 74.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 0.816 . . . . 64.24 109.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.24 -48.16 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 63.32 109.325 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CE2' HD21 ' A' ' 10' ' ' LEU . 19.4 t80 -55.17 -36.34 65.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 75.22 111.009 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 3' ' ' GLY . 3.6 mm? -63.25 -42.22 99.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 72.42 109.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.57 -14.63 82.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 74.44 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.63 -27.78 51.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 71.32 111.047 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.497 HD21 ' CE2' ' A' ' 6' ' ' PHE . 9.0 mt -64.13 -14.82 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 75.52 109.341 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.41 -32.41 81.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 75.2 111.029 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.5 1.32 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 53.44 109.293 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.18 14.31 22.56 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.524 1.14 . . . . 54.03 109.255 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.16 -35.43 64.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 72.41 111.012 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 p -84.35 -26.27 28.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 0.743 . . . . 74.24 110.012 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -60.58 -20.64 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 72.44 109.269 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mttt . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 70.4 109.289 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.317 -0.623 . . . . 75.32 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -102.68 154.45 19.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 74.14 109.361 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -13.62 61.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 65.11 110.293 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -56.99 -28.82 62.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 72.2 110.283 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLU . 15.8 tt0 -67.09 -22.91 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 73.25 110.334 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -50.16 -28.08 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 60.13 109.329 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.14 -34.78 63.98 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.1 . . . . 75.14 109.289 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' GLU . 4.1 mt-10 -78.27 -24.1 46.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 62.24 110.266 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -50.4 -48.51 55.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 73.35 109.267 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.525 ' HA ' ' HB3' ' A' ' 31' ' ' ALA . 7.0 t0 -79.66 -34.7 40.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 70.03 109.312 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -38.49 63.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 63.04 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 5.0 p-90 -85.75 -47.68 9.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 73.22 108.044 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.569 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.69 -19.38 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 65.11 109.284 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' ASP . 9.0 p -57.5 -31.29 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 73.34 110.02 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -47.11 -28.96 1.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.445 1.091 . . . . 73.12 109.273 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.413 ' N ' HD23 ' A' ' 33' ' ' LEU . 46.2 m95 -63.47 -51.39 65.81 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 71.11 108.014 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 74.21 109.235 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.022 -0.831 . . . . 72.22 111.022 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 tt -62.91 -28.05 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.427 0.722 . . . . 64.24 109.257 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.54 -32.3 74.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 64.51 111.023 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.76 80.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 0.781 . . . . 74.23 109.28 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -33.62 60.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 62.35 109.303 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.54 -49.86 75.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 74.43 110.967 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 7' ' ' LEU . 2.1 mm? -54.17 -44.87 71.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 75.34 109.243 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.02 -17.77 72.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 63.14 111.005 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -32.08 57.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 65.23 111.002 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.4 mt -63.95 -16.71 62.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 73.2 109.259 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.06 -37.28 94.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.525 1.141 . . . . 62.41 111.052 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.59 -21.07 52.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.776 . . . . 51.31 109.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.97 -9.46 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 74.35 109.32 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.27 -15.83 77.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.425 1.078 . . . . 52.52 111.047 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.41 -26.54 55.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 74.21 109.949 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -30.13 64.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 71.44 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 74.25 109.307 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.287 -0.634 . . . . 75.01 109.287 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -108.59 152.56 24.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 71.02 109.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -13.74 29.4 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 73.24 110.263 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.86 -28.54 57.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 74.24 110.333 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLU . 50.3 tt0 -66.84 -26.21 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 73.04 110.283 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -46.64 -32.87 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.385 1.053 . . . . 63.22 109.284 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -42.09 98.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 74.21 109.245 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' GLU . 9.6 mt-10 -78.18 -23.82 47.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 63.44 110.336 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.6 tm? -62.46 -48.79 78.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 63.42 109.266 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -78.1 -18.59 55.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 73.34 109.359 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -73.83 -43.49 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 75.51 109.315 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.547 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 5.7 p-90 -85.78 -55.44 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.025 -1.102 . . . . 73.32 108.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 27' ' ' LEU . . . -53.72 -20.83 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 51.13 109.269 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -51.6 -35.33 41.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 63.24 110.004 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.845 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.56 -37.35 7.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 54.2 109.278 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.845 ' N ' HD23 ' A' ' 33' ' ' LEU . 52.9 m95 -57.96 -62.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 75.3 108.04 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 p30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 73.42 109.227 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.958 -0.857 . . . . 75.22 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 mp -82.29 -52.5 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 0.738 . . . . 74.04 109.354 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.77 -35.93 88.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 44.4 111.027 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.7 65.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 73.2 109.286 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -45.37 66.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 72.44 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -72.82 -40.98 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 65.12 110.993 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.26 -37.27 83.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 73.23 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.93 -9.1 75.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.412 1.07 . . . . 51.42 110.977 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -81.5 -39.25 25.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.797 . . . . 62.43 111.028 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 9.9 mt -57.28 -29.72 64.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 63.12 109.291 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.2 -35.05 63.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.155 . . . . 73.24 110.964 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.16 -14.49 58.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 62.32 109.274 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . -75.84 -51.56 12.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 74.4 109.289 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.6 26.03 20.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 72.02 110.95 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.17 -12.16 59.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 0.8 . . . . 65.22 109.981 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.12 -40.21 45.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 54.14 109.259 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 74.24 109.297 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.245 -0.65 . . . . 73.44 109.245 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -65.31 155.26 35.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 51.21 109.319 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -13.49 61.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 73.33 110.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.12 -28.8 63.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 64.15 110.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -22.96 65.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 73.54 110.348 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -50.35 -35.11 26.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 61.33 109.271 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.6 tp -68.59 -35.23 77.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 74.15 109.282 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.19 -23.99 47.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 74.23 110.265 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.6 tm? -62.28 -48.87 78.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 63.2 109.322 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 32' ' ' SER . 4.5 m-20 -78.17 -18.57 55.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 71.22 109.336 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -43.45 58.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.23 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.551 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 5.9 p-90 -85.95 -55.33 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.012 -1.107 . . . . 75.52 108.012 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 30' ' ' TRP . . . -53.75 -20.8 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 61.41 109.301 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -51.45 -35.29 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 71.21 110.036 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.797 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.68 -43.16 17.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 74.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.797 ' H ' HD23 ' A' ' 33' ' ' LEU . 64.3 m95 -42.66 -61.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 73.53 108.006 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 75.3 109.254 -179.935 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.957 -0.857 . . . . 51.42 110.957 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 tp -70.87 -26.95 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.427 0.722 . . . . 71.2 109.311 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.97 -36.92 56.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 32.35 111.007 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.36 -32.21 66.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 44.21 109.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -48.47 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 71.32 109.31 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' HD1' HD22 ' A' ' 7' ' ' LEU . 30.6 t80 -56.54 -38.05 71.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 71.31 111.077 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.402 HD22 ' HD1' ' A' ' 6' ' ' PHE . 1.6 mm? -66.69 -38.55 87.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 73.51 109.278 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.93 -17.87 77.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 72.25 111.005 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -78.55 -14.6 59.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 74.54 111.037 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 80.8 mt -67.15 -22.04 65.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 70.31 109.345 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.02 -41.3 97.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 71.23 110.987 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.05 4.86 36.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 44.53 109.286 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . -91.85 17.97 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 75.22 109.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.88 -22.01 75.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 33.13 110.962 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 m -111.34 -10.92 14.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 42.52 110.023 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -68.79 -42.66 77.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.12 109.278 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 63.14 109.258 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.268 -0.641 . . . . 75.13 109.268 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -108.17 146.22 33.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 75.1 109.273 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -14.62 35.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 72.04 110.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -56.4 -28.77 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.42 110.264 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' GLU . 3.5 tm-20 -66.98 -27.24 67.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 74.31 110.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.52 -45.07 9.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 62.51 109.287 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -42.89 97.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 54.23 109.29 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.474 ' HG2' ' CD ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -67.87 -27.09 66.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 61.23 110.303 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.1 tt -59.84 -43.51 94.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 73.54 109.324 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' SER . 28.1 t70 -83.4 -33.01 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 55.24 109.3 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' CD ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -59.75 -40.16 87.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 60.02 109.282 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.606 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 1.7 p-90 -85.87 -49.92 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 75.42 108.029 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.606 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.71 -19.06 24.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 73.33 109.339 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -56.08 -26.77 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 52.22 110.011 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -50.23 -40.32 47.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 72.5 109.283 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.704 ' N ' HD23 ' A' ' 33' ' ' LEU . 79.8 m95 -50.88 -54.68 21.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 75.43 108.016 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 72.42 109.301 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.83 . . . . 72.03 111.026 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 tt -72.18 -35.13 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.554 0.797 . . . . 60.11 109.319 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.08 74.57 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.518 1.136 . . . . 65.02 111.04 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.43 -20.23 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 0.802 . . . . 64.14 109.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -78.8 -32.85 46.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 75.53 109.269 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.774 ' CD1' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.94 -35.49 62.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.195 . . . . 74.33 111.055 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.774 HD22 ' CD1' ' A' ' 6' ' ' PHE . 2.4 mm? -53.3 -52.62 58.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.11 109.338 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.38 -19.34 62.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.57 1.169 . . . . 64.42 110.964 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.21 -24.99 51.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 73.45 111.013 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD21 ' HE2' ' A' ' 6' ' ' PHE . 92.3 mt -53.74 -25.63 19.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 72.42 109.336 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.61 95.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.44 1.088 . . . . 73.02 111.031 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.98 -12.78 52.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 65.1 109.339 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -27.11 62.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 43.44 109.276 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.55 -3.65 55.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 73.13 111.004 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.5 m -125.94 32.36 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 74.24 110.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -67.28 -55.16 15.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 72.25 109.347 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.596 1.185 . . . . 71.11 109.275 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.357 -0.609 . . . . 52.54 109.357 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -111.6 145.07 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 74.54 109.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -13.97 34.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 72.14 110.27 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -29.07 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 63.41 110.328 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 26' ' ' GLU . 4.2 tt0 -66.55 -26.45 67.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 72.3 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -45.73 -46.36 15.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 74.22 109.346 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.23 -37.92 70.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 74.22 109.277 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' GLU . 14.6 mt-10 -77.34 -24.24 50.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 72.51 110.301 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 1.4 tt -61.92 -46.76 87.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 72.14 109.3 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.83 -18.19 51.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 75.41 109.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -73.43 -44.0 59.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.12 109.268 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.557 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.9 p-90 -84.05 -47.91 10.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.932 -1.136 . . . . 75.23 107.932 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.514 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -58.53 -21.83 53.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 71.52 109.312 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -56.16 -22.29 27.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 61.54 110.007 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.575 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -53.24 -34.8 58.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 73.24 109.322 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.575 ' H ' HD23 ' A' ' 33' ' ' LEU . 55.9 m95 -65.3 -62.95 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 73.34 107.999 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 C--N 1.327 -0.408 0 O-C-N 124.492 1.12 . . . . 74.43 109.304 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.984 -0.846 . . . . 72.24 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tt -63.83 -25.87 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 61.33 109.329 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.19 -37.41 91.72 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.518 1.136 . . . . 71.1 110.967 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.79 -28.23 65.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 73.21 109.28 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -38.66 71.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 73.13 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.775 ' CE1' HD21 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -74.94 -41.6 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 74.41 111.028 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -52.38 -52.47 53.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.13 109.328 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.03 -19.95 66.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.57 1.169 . . . . 75.04 110.987 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.3 -14.49 58.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 71.03 110.984 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.775 HD21 ' CE1' ' A' ' 6' ' ' PHE . 86.8 mt -67.91 -20.9 65.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 53.33 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.48 -38.11 93.08 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.539 1.149 . . . . 70.03 110.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.1 6.5 36.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.79 . . . . 73.11 109.182 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . -99.17 23.61 8.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.444 1.09 . . . . 63.13 109.355 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.84 -13.94 81.97 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.475 1.109 . . . . 73.55 110.966 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.49 -10.38 54.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 75.41 109.997 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -80.7 -10.05 59.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.127 . . . . 73.34 109.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 74.31 109.244 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 mttt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.3 -0.629 . . . . 73.33 109.3 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -79.18 151.74 31.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 54.5 109.314 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -14.87 19.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 65.01 110.3 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -55.87 -28.39 56.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.416 1.072 . . . . 63.14 110.259 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' GLU . 52.1 tt0 -67.78 -26.27 66.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 72.45 110.406 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -45.87 -48.66 15.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 72.34 109.29 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mt -57.75 -35.56 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 63.22 109.284 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.2 mt-10 -77.6 -24.74 49.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.422 1.076 . . . . 71.31 110.286 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.555 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 7.7 tt -60.72 -46.15 91.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 61.5 109.316 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -80.53 -20.03 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.01 109.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -70.98 -43.95 66.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 50.41 109.288 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.1 p-90 -83.55 -46.45 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.2 107.999 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.492 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -58.19 -19.78 36.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 61.04 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -27.14 42.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 71.35 110.012 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.738 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -52.67 -34.51 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 71.21 109.314 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.738 ' N ' HD23 ' A' ' 33' ' ' LEU . 80.5 m95 -58.14 -53.4 58.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.985 -1.117 . . . . 70.4 107.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 75.24 109.297 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.999 -0.84 . . . . 71.23 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.0 tp -71.92 -45.59 63.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.767 . . . . 61.12 109.347 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.28 -37.62 55.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.578 1.173 . . . . 74.42 110.974 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.35 -24.03 59.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 62.34 109.251 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.83 -45.57 70.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.41 109.299 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.519 ' CE2' HD21 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.87 -41.68 59.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.581 1.176 . . . . 75.5 110.981 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -52.37 -49.7 63.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 74.13 109.354 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.11 -17.6 59.21 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 63.23 110.946 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.63 -21.44 38.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.779 . . . . 73.33 110.99 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD21 ' CE2' ' A' ' 6' ' ' PHE . 86.7 mt -68.0 -22.31 65.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 50.45 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.19 -39.79 92.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.423 1.077 . . . . 71.41 110.99 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.35 -25.83 51.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 0.78 . . . . 65.02 109.277 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.92 -19.58 65.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 64.33 109.282 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.09 29.99 4.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 52.54 111.018 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.2 t -118.14 0.46 11.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 0.795 . . . . 63.4 110.018 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -64.06 -56.27 16.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 75.12 109.234 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 74.51 109.343 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ACA . . . . . 0.44 ' H51' ' CD ' ' A' ' 19' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' CD ' ' H51' ' A' ' 18' ' ' ACA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.353 -0.61 . . . . 73.41 109.353 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -69.22 150.54 47.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 71.44 109.279 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -14.62 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 71.41 110.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.82 -28.5 56.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 74.42 110.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 25' ' ' LEU . 2.1 tm-20 -67.09 -27.07 67.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 60.43 110.286 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -45.28 -27.44 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 73.22 109.293 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 23' ' ' GLU . 1.2 tm? -63.38 -49.3 74.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 63.33 109.273 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -24.94 52.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 63.52 110.263 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.4 tt -60.39 -46.93 88.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 52.21 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -80.2 -20.32 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 71.24 109.317 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -42.76 70.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 65.42 109.373 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.9 p-90 -84.99 -45.37 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 62.53 108.026 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -59.48 -20.86 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 71.31 109.269 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.94 -26.68 60.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 62.21 109.95 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -52.29 -33.31 41.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 72.12 109.355 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.583 ' N ' HD23 ' A' ' 33' ' ' LEU . 62.2 m95 -61.01 -62.79 1.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.978 -1.119 . . . . 75.44 107.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.2 p30 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 72.04 109.285 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.583 ' O ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.041 -0.824 . . . . 53.299999999999997 111.041 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.83 67.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 73.450000000000003 109.281 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -66.85 -42.12 86.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 71.310000000000002 109.297 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.429 ' C ' ' CD2' ' A' ' 6' ' ' PHE . 6.6 t80 -68.18 -45.32 73.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 75.329999999999998 110.963 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 3' ' ' GLY . 2.6 mm? -55.24 -41.75 72.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 62.210000000000001 109.314 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.95 -15.93 78.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.511 1.132 . . . . 44.539999999999999 111.004 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -32.45 57.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.345 0.674 . . . . 65.200000000000003 110.966 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 22.8 mt -60.21 -29.13 68.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 71.340000000000003 109.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.22 -36.68 89.81 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.42 -9.1 53.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 0.726 . . . . 34.399999999999999 109.265 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 64.040000000000006 109.327 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.31 -0.626 . . . . 70.109999999999999 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -77.32 -24.67 50.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 72.319999999999993 110.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.543 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 8.4 tt -60.88 -47.7 85.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 74.230000000000004 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -79.89 -17.68 52.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 70.209999999999994 109.351 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -73.52 -43.37 60.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 52.509999999999998 109.315 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.7 p-90 -84.24 -43.83 14.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.988 -1.115 . . . . 75.230000000000004 107.988 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.461 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -63.4 -24.71 67.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 52.340000000000003 109.344 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -51.27 -24.95 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 61.420000000000002 110.01 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.653 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -53.12 -39.52 63.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 73.530000000000001 109.343 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.653 ' H ' HD23 ' A' ' 33' ' ' LEU . 63.7 m95 . . . . . 0 C--N 1.326 -0.446 0 N-CA-C 108.023 -1.103 . . . . 74.030000000000001 108.023 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.056 -0.818 . . . . 61.119999999999997 111.056 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.49 -30.42 62.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 73.200000000000003 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.35 -44.64 74.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 70.400000000000006 109.312 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -64.48 -43.8 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 62.32 110.963 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.416 HD13 HD12 ' A' ' 10' ' ' LEU . 2.6 mm? -56.35 -47.57 78.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 72.439999999999998 109.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.93 -18.22 70.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.462 1.101 . . . . 64.209999999999994 111.017 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.17 -27.05 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 75.010000000000005 111.034 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.416 HD12 HD13 ' A' ' 7' ' ' LEU . 95.5 mt -60.42 -16.27 34.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 75.340000000000003 109.332 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.54 -33.39 76.58 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 44.299999999999997 111.035 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.12 -14.13 39.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 0.716 . . . . 73.450000000000003 109.344 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 73.310000000000002 109.262 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.287 -0.635 . . . . 75.209999999999994 109.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.93 -24.29 48.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 64.209999999999994 110.262 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -59.03 -49.07 79.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 73.230000000000004 109.242 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 32' ' ' SER . 35.2 t0 -79.21 -21.35 46.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 74.25 109.368 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -41.29 77.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 74.510000000000005 109.284 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.1 p-90 -85.83 -50.28 7.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 73.430000000000007 107.954 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.52 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.23 -23.18 46.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 34.409999999999997 109.246 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -54.39 -27.86 39.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 72.430000000000007 110.001 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -49.93 -34.64 21.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 51.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.458 ' H ' HD23 ' A' ' 33' ' ' LEU . 54.5 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 75.209999999999994 108.021 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 63.240000000000002 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.53 -34.98 74.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 42.539999999999999 109.281 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.3 -38.36 84.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 54.329999999999998 109.285 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -67.71 -52.02 42.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 74.319999999999993 110.998 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.6 -38.43 87.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 74.340000000000003 109.302 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.84 -14.36 80.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 75.209999999999994 111.03 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -74.21 -38.0 63.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 61.310000000000002 110.999 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' ALA . 20.5 mt -62.93 -34.67 77.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 75.030000000000001 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.49 -27.79 13.01 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.127 . . . . 52.229999999999997 110.991 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.82 -26.19 25.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.796 . . . . 50.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 71.409999999999997 109.294 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.338 -0.616 . . . . 71.010000000000005 109.338 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.97 -24.75 52.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 74.340000000000003 110.299 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.543 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.2 tt -59.57 -49.0 79.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 60.119999999999997 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.25 -17.05 55.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 63.210000000000001 109.313 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -73.62 -41.89 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 73.430000000000007 109.331 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.4 p-90 -85.71 -40.96 15.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 72.420000000000002 107.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.38 -20.12 65.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 43.299999999999997 109.357 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -27.19 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 74.510000000000005 109.946 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.759 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -47.98 -41.08 24.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 74.400000000000006 109.331 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.759 ' H ' HD23 ' A' ' 33' ' ' LEU . 68.0 m95 . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 74.439999999999998 107.993 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.02 -0.832 . . . . 74.219999999999999 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.43 -27.41 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 0.733 . . . . 55.329999999999998 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 5' ' ' LEU . 4.7 tp -72.26 -34.87 68.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.428 1.08 . . . . 71.530000000000001 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.643 ' HD2' HD22 ' A' ' 7' ' ' LEU . 1.9 t80 -74.05 -41.39 61.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.219999999999999 110.958 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.643 HD22 ' HD2' ' A' ' 6' ' ' PHE . 3.6 mm? -62.99 -41.94 99.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 73.310000000000002 109.305 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.76 -13.65 69.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.148 . . . . 55.130000000000003 110.99 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.84 -34.46 30.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 74.129999999999995 111.006 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.7 mt -56.42 -21.85 27.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 64.430000000000007 109.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.85 -36.8 88.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 24.32 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.67 -14.97 55.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 74.040000000000006 109.317 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 21.550000000000001 109.347 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.297 -0.631 . . . . 73.209999999999994 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -77.81 -24.38 48.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.594 1.184 . . . . 63.240000000000002 110.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.0 tt -60.09 -44.36 94.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 63.009999999999998 109.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -22.28 35.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 74.519999999999996 109.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -41.75 78.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 54.299999999999997 109.362 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.0 p-90 -85.66 -45.81 11.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 61.229999999999997 107.964 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -59.14 -19.03 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 31.449999999999999 109.259 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -60.68 -23.14 64.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 70.129999999999995 109.924 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -48.11 -39.79 21.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 72.319999999999993 109.306 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.644 ' H ' HD23 ' A' ' 33' ' ' LEU . 57.8 m95 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 73.340000000000003 107.963 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.448 ' O ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.949 -0.86 . . . . 74.409999999999997 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.39 75.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 62.210000000000001 109.345 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -73.32 -33.72 65.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 51.149999999999999 109.286 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -69.03 -46.3 68.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 71.209999999999994 111.049 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 3' ' ' GLY . 4.2 mm? -57.78 -34.87 70.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 71.439999999999998 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.65 -12.86 81.05 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.549 1.156 . . . . 72.109999999999999 111.04 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -31.47 54.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 73.019999999999996 110.971 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 66.5 mt -57.05 -28.75 62.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 73.420000000000002 109.356 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.29 -34.19 83.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 60.130000000000003 110.986 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.39 4.81 44.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 71.439999999999998 109.321 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 70.349999999999994 109.281 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.636 . . . . 62.219999999999999 109.284 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -24.17 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 71.329999999999998 110.36 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.6 tt -58.09 -44.17 87.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 62.340000000000003 109.307 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -81.68 -24.19 36.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 60.030000000000001 109.27 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -66.55 -42.2 87.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 70.549999999999997 109.246 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.1 p-90 -85.61 -48.44 8.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.007 -1.109 . . . . 61.310000000000002 108.007 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.508 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -59.17 -21.21 59.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 63.32 109.336 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -55.37 -25.82 37.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 71.430000000000007 109.995 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.526 HD21 ' CE2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -48.43 -24.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 73.340000000000003 109.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.526 ' CE2' HD21 ' A' ' 33' ' ' LEU . 56.4 m95 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 108.023 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.966 -0.853 . . . . 64.129999999999995 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.22 69.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 75.25 109.261 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -42.67 81.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 70.329999999999998 109.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.413 ' HD2' HD22 ' A' ' 7' ' ' LEU . 7.5 t80 -72.72 -35.31 67.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 75.129999999999995 110.997 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.413 HD22 ' HD2' ' A' ' 6' ' ' PHE . 1.9 mm? -63.35 -49.95 71.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 72.140000000000001 109.25 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.7 -10.82 51.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 72.230000000000004 110.932 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -30.8 48.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 70.329999999999998 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 mt -58.18 -24.62 59.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 61.210000000000001 109.262 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.78 -39.72 47.72 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.479 1.112 . . . . 54.140000000000001 110.99 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.62 -24.36 49.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 0.823 . . . . 55.25 109.304 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 62.130000000000003 109.314 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.309 -0.626 . . . . 71.329999999999998 109.309 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.69 -24.24 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 70.450000000000003 110.333 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -59.2 -48.99 79.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 72.5 109.375 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.86 -17.67 52.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 75.530000000000001 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -40.83 64.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 71.230000000000004 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.557 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.8 p-90 -85.67 -44.79 12.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 73.129999999999995 108.001 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.421 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -54.75 -25.07 25.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.383 1.052 . . . . 72.340000000000003 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 34' ' ' TRP . 3.2 m -55.8 -33.51 64.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 74.010000000000005 109.972 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.746 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -47.39 -25.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 72.519999999999996 109.25 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.746 ' N ' HD23 ' A' ' 33' ' ' LEU . 59.5 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 71.140000000000001 107.99 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.016 -0.834 . . . . 51.439999999999998 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.43 -30.23 69.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 74.030000000000001 109.326 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.11 -35.91 71.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 73.219999999999999 109.279 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -72.9 -43.56 62.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 50.210000000000001 111.027 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.34 -44.2 97.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 60.210000000000001 109.323 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.47 -16.12 64.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 34.149999999999999 111.027 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -38.92 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 72.219999999999999 111.022 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.14 -29.23 69.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 71.340000000000003 109.313 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.09 -32.78 36.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.569 1.168 . . . . 75.230000000000004 110.973 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.35 -21.89 33.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 71.109999999999999 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 74.340000000000003 109.29 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.283 -0.636 . . . . 74.239999999999995 109.283 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.2 -24.28 47.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 74.5 110.25 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -58.81 -49.72 76.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 64.219999999999999 109.314 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.13 -17.26 55.39 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 74.5 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -73.32 -40.98 64.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.219999999999999 109.325 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 9.5 p-90 -85.74 -46.31 10.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 71.329999999999998 108.094 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -56.25 -19.37 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 65.439999999999998 109.282 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -56.23 -31.52 63.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 75.5 110.032 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.536 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -47.82 -30.52 4.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.48 1.113 . . . . 55.549999999999997 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.536 ' N ' HD23 ' A' ' 33' ' ' LEU . 43.4 m95 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 107.975 -1.12 . . . . 75.510000000000005 107.975 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.007 -0.837 . . . . 72.109999999999999 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.4 -34.28 76.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 73.310000000000002 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -35.03 63.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 60.119999999999997 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -69.66 -41.51 75.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 75.230000000000004 111.002 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.58 -44.03 91.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 71.109999999999999 109.329 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.58 -12.74 64.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 60.530000000000001 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -34.22 50.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 0.813 . . . . 55.219999999999999 111.002 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 47.3 mt -61.69 -19.94 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.519999999999996 109.345 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.09 86.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.126 . . . . 70.319999999999993 110.944 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.48 -10.02 55.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 63.049999999999997 109.298 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 73.120000000000005 109.294 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.263 -0.643 . . . . 75.019999999999996 109.263 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 -24.11 47.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 62.340000000000003 110.311 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -56.77 -49.73 74.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 72.310000000000002 109.304 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 32' ' ' SER . 4.8 t0 -78.22 -32.13 49.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 73.349999999999994 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -56.69 -44.02 81.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 74.420000000000002 109.312 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 5.7 p-90 -80.52 -49.25 11.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 74.349999999999994 107.988 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.555 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.65 -19.38 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 71.239999999999995 109.258 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -56.99 -30.59 64.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.458 1.099 . . . . 61.240000000000002 109.969 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -47.11 -27.26 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 63.200000000000003 109.325 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.419 ' N ' HD23 ' A' ' 33' ' ' LEU . 56.6 m95 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 72.140000000000001 107.992 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.999 -0.84 . . . . 72.409999999999997 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.31 77.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 0.733 . . . . 72.25 109.367 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.69 -32.9 70.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 71.329999999999998 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -71.21 -48.57 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 72.549999999999997 110.983 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -44.28 91.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.186 . . . . 73.340000000000003 109.305 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.61 -13.28 71.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 62.130000000000003 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -28.8 36.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 65.439999999999998 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.75 -27.5 68.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 73.310000000000002 109.345 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.0 -35.77 77.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.108 . . . . 63.100000000000001 110.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.87 -13.49 56.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 41.200000000000003 109.298 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 72.010000000000005 109.325 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.309 -0.626 . . . . 70.230000000000004 109.309 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -24.71 47.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 61.329999999999998 110.298 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 4.1 tt -59.92 -42.21 93.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 73.099999999999994 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -83.32 -33.17 25.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 75.420000000000002 109.325 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.65 -40.56 83.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 65.310000000000002 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.9 p-90 -85.95 -51.81 6.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.041 -1.096 . . . . 73.040000000000006 108.041 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.594 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.25 -19.77 9.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 73.140000000000001 109.255 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -54.95 -30.05 57.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 62.219999999999999 110.055 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -46.23 -34.99 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 72.120000000000005 109.328 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.766 ' N ' HD23 ' A' ' 33' ' ' LEU . 61.6 m95 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.951 -1.129 . . . . 74.230000000000004 107.951 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.991 -0.844 . . . . 50.210000000000001 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.63 -19.24 63.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 74.120000000000005 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.514 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -68.78 -48.34 63.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 50.340000000000003 109.27 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.37 -45.84 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 63.329999999999998 110.999 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.6 -39.31 93.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 109.264 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.96 -14.38 80.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 63.109999999999999 111.042 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -74.66 -41.18 60.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 0.776 . . . . 75.25 111.024 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -60.86 -26.67 67.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 55.25 109.297 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.34 -28.0 54.21 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.461 1.1 . . . . 53.420000000000002 111.006 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.83 -25.51 37.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.799 . . . . 51.329999999999998 109.287 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 74.409999999999997 109.312 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.347 -0.612 . . . . 53.439999999999998 109.347 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.61 -24.87 49.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 70.340000000000003 110.28 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 4.0 tt -59.66 -42.46 92.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 52.539999999999999 109.244 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' SER . 47.0 t0 -83.24 -33.32 26.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 109.286 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.55 -40.63 83.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 70.540000000000006 109.267 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.598 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.9 p-90 -85.83 -51.9 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 71.319999999999993 108.018 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.598 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.14 -19.8 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 62.020000000000003 109.294 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' ASP . 4.8 t -55.28 -32.51 62.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 51.539999999999999 110.071 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -47.86 -34.92 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 72.109999999999999 109.269 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.584 ' N ' HD23 ' A' ' 33' ' ' LEU . 49.9 m95 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 107.98 -1.119 . . . . 72.329999999999998 107.98 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.028 -0.829 . . . . 64.530000000000001 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.11 -29.26 70.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 50.240000000000002 109.327 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -75.19 -36.22 61.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 63.030000000000001 109.29 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -68.71 -45.83 70.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 73.549999999999997 111.016 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.12 -42.47 96.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 73.319999999999993 109.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.58 -16.1 69.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 62.109999999999999 110.975 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -35.63 53.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 0.761 . . . . 73.109999999999999 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.17 -17.39 40.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 71.129999999999995 109.247 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.82 -31.26 79.19 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.457 1.098 . . . . 73.209999999999994 110.974 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.56 -4.17 58.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 71.109999999999999 109.356 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 74.420000000000002 109.337 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.309 -0.626 . . . . 62.240000000000002 109.309 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.19 -24.15 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 71.5 110.325 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -57.8 -49.73 75.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 63.299999999999997 109.267 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.95 -16.5 56.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 65.200000000000003 109.3 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -41.03 63.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 11.3 p-90 -85.86 -44.93 12.03 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.984 -1.117 . . . . 74.420000000000002 107.984 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.409 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -56.06 -21.99 24.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 53.329999999999998 109.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.83 -29.44 59.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 71.25 109.964 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.475 HD21 ' CE2' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -46.29 -28.42 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 75.230000000000004 109.252 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.475 ' CE2' HD21 ' A' ' 33' ' ' LEU . 44.2 m95 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 74.409999999999997 108.023 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.003 -0.839 . . . . 61.100000000000001 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.77 -26.21 57.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 63.240000000000002 109.269 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -72.71 -41.87 64.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 72.109999999999999 109.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.575 ' HD2' HD22 ' A' ' 7' ' ' LEU . 3.9 t80 -65.28 -44.17 88.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 64.510000000000005 111.033 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.575 HD22 ' HD2' ' A' ' 6' ' ' PHE . 2.3 mm? -57.67 -44.18 85.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 55.25 109.305 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.35 -11.06 64.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 71.219999999999999 110.999 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.04 -17.4 46.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 72.129999999999995 110.977 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.75 -15.89 63.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 53.409999999999997 109.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.26 -29.72 69.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 44.43 110.994 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.57 -22.58 28.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 43.310000000000002 109.27 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 71.299999999999997 109.32 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.321 -0.622 . . . . 74.25 109.321 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG2' ' CD ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -78.27 -24.15 46.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 74.310000000000002 110.315 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.4 tt -62.24 -40.98 97.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 73.239999999999995 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -83.32 -33.69 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 71.099999999999994 109.272 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' CD ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -58.87 -47.68 84.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 72.219999999999999 109.318 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.59 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.1 p-90 -76.73 -50.93 12.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 71.340000000000003 108.029 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.59 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.23 -19.69 8.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 74.129999999999995 109.351 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.9 OUTLIER -52.27 -26.17 11.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 73.230000000000004 109.979 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.914 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -50.52 -36.57 34.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 73.540000000000006 109.354 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.914 ' N ' HD23 ' A' ' 33' ' ' LEU . 77.6 m95 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 72.239999999999995 108.024 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.977 -0.849 . . . . 31.219999999999999 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.34 -19.3 45.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 0.771 . . . . 70.140000000000001 109.301 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -77.95 -39.24 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.099999999999994 109.359 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.51 ' HD1' HD22 ' A' ' 7' ' ' LEU . 33.7 t80 -72.59 -38.44 67.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 74.109999999999999 111.028 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD22 ' HD1' ' A' ' 6' ' ' PHE . 3.3 mm? -61.09 -49.58 76.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 72.439999999999998 109.322 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.83 -19.44 63.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.435 1.085 . . . . 75.239999999999995 111.034 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -28.82 52.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 65.239999999999995 110.94 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.446 HD21 ' CE1' ' A' ' 6' ' ' PHE . 42.8 mt -62.47 -28.37 69.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 73.329999999999998 109.335 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.2 -29.52 59.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 72.209999999999994 110.972 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.4 -19.37 31.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 44.310000000000002 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 70.439999999999998 109.347 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.374 -0.602 . . . . 72.340000000000003 109.374 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.6 -24.18 49.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 73.420000000000002 110.336 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.551 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -59.02 -49.58 77.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 71.099999999999994 109.267 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -16.76 55.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 75.200000000000003 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -40.93 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 75.219999999999999 109.281 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.551 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.8 p-90 -85.6 -44.17 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 75.129999999999995 108.035 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.69 -23.9 54.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 63.310000000000002 109.286 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -54.82 -23.04 16.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 71.109999999999999 110.062 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.625 HD23 ' H ' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -51.24 -32.04 22.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 75.420000000000002 109.264 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.625 ' H ' HD23 ' A' ' 33' ' ' LEU . 66.1 m95 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 73.200000000000003 108.032 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.594 ' O ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.067 0 N-CA-C 110.966 -0.854 . . . . 72.109999999999999 110.966 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.91 -32.85 74.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 0.816 . . . . 64.239999999999995 109.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.24 -48.16 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 63.32 109.325 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CE2' HD21 ' A' ' 10' ' ' LEU . 19.4 t80 -55.17 -36.34 65.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 75.219999999999999 111.009 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 3' ' ' GLY . 3.6 mm? -63.25 -42.22 99.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 72.420000000000002 109.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.57 -14.63 82.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 74.439999999999998 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.63 -27.78 51.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 71.319999999999993 111.047 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.497 HD21 ' CE2' ' A' ' 6' ' ' PHE . 9.0 mt -64.13 -14.82 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 75.519999999999996 109.341 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.41 -32.41 81.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 75.200000000000003 111.029 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.5 1.32 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 53.439999999999998 109.293 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.524 1.14 . . . . 54.030000000000001 109.255 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.289 -0.634 . . . . 75.140000000000001 109.289 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.27 -24.1 46.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 62.240000000000002 110.266 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -50.4 -48.51 55.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 73.349999999999994 109.267 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.525 ' HA ' ' HB3' ' A' ' 31' ' ' ALA . 7.0 t0 -79.66 -34.7 40.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 70.030000000000001 109.312 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -38.49 63.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 63.039999999999999 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 5.0 p-90 -85.75 -47.68 9.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 73.219999999999999 108.044 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.569 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.69 -19.38 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 65.109999999999999 109.284 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' ASP . 9.0 p -57.5 -31.29 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 73.340000000000003 110.02 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -47.11 -28.96 1.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.445 1.091 . . . . 73.120000000000005 109.273 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.413 ' N ' HD23 ' A' ' 33' ' ' LEU . 46.2 m95 . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 71.109999999999999 108.014 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.023 -0.831 . . . . 64.510000000000005 111.023 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.76 80.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 0.781 . . . . 74.230000000000004 109.28 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -33.62 60.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 62.350000000000001 109.303 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.54 -49.86 75.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 74.430000000000007 110.967 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.439 ' HA ' HD13 ' A' ' 7' ' ' LEU . 2.1 mm? -54.17 -44.87 71.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 75.340000000000003 109.243 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.02 -17.77 72.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 63.140000000000001 111.005 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -32.08 57.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 65.230000000000004 111.002 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.4 mt -63.95 -16.71 62.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 73.200000000000003 109.259 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.06 -37.28 94.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.525 1.141 . . . . 62.409999999999997 111.052 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.59 -21.07 52.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.776 . . . . 51.310000000000002 109.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 74.349999999999994 109.32 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.245 -0.65 . . . . 74.209999999999994 109.245 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -78.18 -23.82 47.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 63.439999999999998 110.336 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.56 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.6 tm? -62.46 -48.79 78.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 63.420000000000002 109.266 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -78.1 -18.59 55.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 73.340000000000003 109.359 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -73.83 -43.49 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 75.510000000000005 109.315 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.547 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 5.7 p-90 -85.78 -55.44 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.025 -1.102 . . . . 73.319999999999993 108.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 27' ' ' LEU . . . -53.72 -20.83 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 51.130000000000003 109.269 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -51.6 -35.33 41.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 63.240000000000002 110.004 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.845 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.56 -37.35 7.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 54.200000000000003 109.278 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.845 ' N ' HD23 ' A' ' 33' ' ' LEU . 52.9 m95 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 75.299999999999997 108.04 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.027 -0.829 . . . . 44.399999999999999 111.027 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.7 65.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 73.200000000000003 109.286 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -45.37 66.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 72.439999999999998 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -72.82 -40.98 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 65.120000000000005 110.993 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.26 -37.27 83.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 73.230000000000004 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.93 -9.1 75.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.412 1.07 . . . . 51.420000000000002 110.977 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -81.5 -39.25 25.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.797 . . . . 62.43 111.028 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 9.9 mt -57.28 -29.72 64.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 63.119999999999997 109.291 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.2 -35.05 63.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.155 . . . . 73.239999999999995 110.964 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.16 -14.49 58.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 62.32 109.274 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 74.400000000000006 109.289 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.6 tp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.282 -0.636 . . . . 74.150000000000006 109.282 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.19 -23.99 47.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 74.230000000000004 110.265 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.6 tm? -62.28 -48.87 78.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 63.200000000000003 109.322 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 32' ' ' SER . 4.5 m-20 -78.17 -18.57 55.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 71.219999999999999 109.336 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -43.45 58.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.551 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 5.9 p-90 -85.95 -55.33 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.012 -1.107 . . . . 75.519999999999996 108.012 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 30' ' ' TRP . . . -53.75 -20.8 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 61.409999999999997 109.301 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -51.45 -35.29 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 71.209999999999994 110.036 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.797 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.68 -43.16 17.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 74.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.797 ' H ' HD23 ' A' ' 33' ' ' LEU . 64.3 m95 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 73.530000000000001 108.006 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.007 -0.837 . . . . 32.350000000000001 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.36 -32.21 66.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 44.210000000000001 109.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -48.47 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 71.319999999999993 109.31 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' HD1' HD22 ' A' ' 7' ' ' LEU . 30.6 t80 -56.54 -38.05 71.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 71.310000000000002 111.077 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.402 HD22 ' HD1' ' A' ' 6' ' ' PHE . 1.6 mm? -66.69 -38.55 87.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 73.510000000000005 109.278 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.93 -17.87 77.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 72.25 111.005 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -78.55 -14.6 59.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 74.540000000000006 111.037 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 80.8 mt -67.15 -22.04 65.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 70.310000000000002 109.345 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.02 -41.3 97.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 71.230000000000004 110.987 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.05 4.86 36.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 44.530000000000001 109.286 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 75.219999999999999 109.288 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.29 -0.633 . . . . 54.229999999999997 109.29 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.474 ' HG2' ' CD ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -67.87 -27.09 66.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 61.229999999999997 110.303 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.1 tt -59.84 -43.51 94.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 73.540000000000006 109.324 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' SER . 28.1 t70 -83.4 -33.01 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 55.240000000000002 109.3 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' CD ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -59.75 -40.16 87.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 60.020000000000003 109.282 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.606 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 1.7 p-90 -85.87 -49.92 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 75.420000000000002 108.029 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.606 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.71 -19.06 24.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 73.329999999999998 109.339 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -56.08 -26.77 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 52.219999999999999 110.011 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -50.23 -40.32 47.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 72.5 109.283 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.704 ' N ' HD23 ' A' ' 33' ' ' LEU . 79.8 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 108.016 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.04 -0.824 . . . . 65.019999999999996 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.43 -20.23 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 0.802 . . . . 64.140000000000001 109.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -78.8 -32.85 46.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 75.530000000000001 109.269 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.774 ' CD1' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.94 -35.49 62.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.195 . . . . 74.329999999999998 111.055 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.774 HD22 ' CD1' ' A' ' 6' ' ' PHE . 2.4 mm? -53.3 -52.62 58.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.109999999999999 109.338 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.38 -19.34 62.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.57 1.169 . . . . 64.420000000000002 110.964 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.21 -24.99 51.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 73.450000000000003 111.013 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.406 HD21 ' HE2' ' A' ' 6' ' ' PHE . 92.3 mt -53.74 -25.63 19.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 72.420000000000002 109.336 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.61 95.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.44 1.088 . . . . 73.019999999999996 111.031 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.98 -12.78 52.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 65.099999999999994 109.339 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 43.439999999999998 109.276 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.277 -0.638 . . . . 74.219999999999999 109.277 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -77.34 -24.24 50.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 72.510000000000005 110.301 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 1.4 tt -61.92 -46.76 87.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 72.140000000000001 109.3 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.83 -18.19 51.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 75.409999999999997 109.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -73.43 -44.0 59.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.120000000000005 109.268 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.557 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.9 p-90 -84.05 -47.91 10.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.932 -1.136 . . . . 75.230000000000004 107.932 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.514 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -58.53 -21.83 53.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 71.519999999999996 109.312 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -56.16 -22.29 27.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 61.539999999999999 110.007 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.575 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -53.24 -34.8 58.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 73.239999999999995 109.322 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.575 ' H ' HD23 ' A' ' 33' ' ' LEU . 55.9 m95 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 73.340000000000003 107.999 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 110.967 -0.853 . . . . 71.099999999999994 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.79 -28.23 65.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 73.209999999999994 109.28 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -38.66 71.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 73.129999999999995 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.775 ' CE1' HD21 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -74.94 -41.6 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 74.409999999999997 111.028 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -52.38 -52.47 53.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.129999999999995 109.328 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.03 -19.95 66.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.57 1.169 . . . . 75.040000000000006 110.987 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.3 -14.49 58.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 71.030000000000001 110.984 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.775 HD21 ' CE1' ' A' ' 6' ' ' PHE . 86.8 mt -67.91 -20.9 65.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 53.329999999999998 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.48 -38.11 93.08 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.539 1.149 . . . . 70.030000000000001 110.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.1 6.5 36.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.79 . . . . 73.109999999999999 109.182 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.444 1.09 . . . . 63.130000000000003 109.355 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.284 -0.635 . . . . 63.219999999999999 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -77.6 -24.74 49.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.422 1.076 . . . . 71.310000000000002 110.286 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.555 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 7.7 tt -60.72 -46.15 91.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 61.5 109.316 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -80.53 -20.03 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.010000000000005 109.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -70.98 -43.95 66.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 50.409999999999997 109.288 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.1 p-90 -83.55 -46.45 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.200000000000003 107.999 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.492 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -58.19 -19.78 36.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 61.039999999999999 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -27.14 42.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 71.349999999999994 110.012 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.738 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -52.67 -34.51 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 71.209999999999994 109.314 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.738 ' N ' HD23 ' A' ' 33' ' ' LEU . 80.5 m95 . . . . . 0 C--N 1.326 -0.447 0 N-CA-C 107.985 -1.117 . . . . 70.400000000000006 107.985 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.974 -0.851 . . . . 74.420000000000002 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.35 -24.03 59.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 62.340000000000003 109.251 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.83 -45.57 70.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.409999999999997 109.299 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.519 ' CE2' HD21 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.87 -41.68 59.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.581 1.176 . . . . 75.5 110.981 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -52.37 -49.7 63.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 109.354 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.11 -17.6 59.21 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 63.229999999999997 110.946 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.63 -21.44 38.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.779 . . . . 73.329999999999998 110.99 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.519 HD21 ' CE2' ' A' ' 6' ' ' PHE . 86.7 mt -68.0 -22.31 65.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 50.450000000000003 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.19 -39.79 92.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.423 1.077 . . . . 71.409999999999997 110.99 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.35 -25.83 51.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 0.78 . . . . 65.019999999999996 109.277 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 64.329999999999998 109.282 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.273 -0.64 . . . . 63.329999999999998 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -24.94 52.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 63.520000000000003 110.263 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.4 tt -60.39 -46.93 88.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 52.210000000000001 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -80.2 -20.32 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 71.239999999999995 109.317 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -42.76 70.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 65.420000000000002 109.373 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.9 p-90 -84.99 -45.37 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 62.530000000000001 108.026 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -59.48 -20.86 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 71.310000000000002 109.269 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.94 -26.68 60.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 62.210000000000001 109.95 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -52.29 -33.31 41.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 72.120000000000005 109.355 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.583 ' N ' HD23 ' A' ' 33' ' ' LEU . 62.2 m95 . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 107.978 -1.119 . . . . 75.439999999999998 107.978 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.024 -0.83 . . . . 43.049999999999997 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.03 -31.68 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 62.140000000000001 109.215 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.583 ' O ' HD23 ' A' ' 7' ' ' LEU . . . -76.7 -33.43 47.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 53.299999999999997 111.041 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.83 67.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 73.450000000000003 109.281 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -66.85 -42.12 86.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 71.310000000000002 109.297 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.429 ' C ' ' CD2' ' A' ' 6' ' ' PHE . 6.6 t80 -68.18 -45.32 73.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 75.329999999999998 110.963 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 3' ' ' GLY . 2.6 mm? -55.24 -41.75 72.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 62.210000000000001 109.314 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.95 -15.93 78.36 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.511 1.132 . . . . 44.539999999999999 111.004 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.83 -32.45 57.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.345 0.674 . . . . 65.200000000000003 110.966 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 22.8 mt -60.21 -29.13 68.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 71.340000000000003 109.335 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.22 -36.68 89.81 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 111.022 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.42 -9.1 53.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 0.726 . . . . 34.399999999999999 109.265 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . -74.39 -13.42 60.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 64.040000000000006 109.327 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.56 -27.3 73.89 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.484 1.115 . . . . 72.439999999999998 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.18 32.57 2.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 0.795 . . . . 53.020000000000003 109.941 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 2.9 ttmp? -51.2 -55.58 17.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 71.219999999999999 109.337 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 73.230000000000004 109.312 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.295 -0.631 . . . . 64.209999999999994 109.295 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -111.71 141.65 45.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 62.140000000000001 109.314 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.68 -15.41 39.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 53.32 110.235 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.407 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -55.8 -28.49 56.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 63.329999999999998 110.276 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 tm-20 -67.33 -27.95 67.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 72.510000000000005 110.29 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.598 HD22 HD13 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -43.74 -28.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 63.130000000000003 109.38 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.04 -48.76 11.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.551 1.157 . . . . 70.109999999999999 109.31 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -77.32 -24.67 50.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 1.101 . . . . 72.319999999999993 110.273 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.598 HD13 HD22 ' A' ' 24' ' ' LEU . 8.4 tt -60.88 -47.7 85.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 74.230000000000004 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -79.89 -17.68 52.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 70.209999999999994 109.351 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -73.52 -43.37 60.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 52.509999999999998 109.315 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.7 p-90 -84.24 -43.83 14.49 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.988 -1.115 . . . . 75.230000000000004 107.988 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.461 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -63.4 -24.71 67.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 52.340000000000003 109.344 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -51.27 -24.95 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 61.420000000000002 110.01 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.653 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -53.12 -39.52 63.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 73.530000000000001 109.343 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.653 ' H ' HD23 ' A' ' 33' ' ' LEU . 63.7 m95 -50.58 -56.65 10.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.023 -1.103 . . . . 74.030000000000001 108.023 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 73.010000000000005 109.337 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 N-CA-C 110.979 -0.848 . . . . 75.340000000000003 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -25.86 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 74.150000000000006 109.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.61 -40.11 69.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.445 1.09 . . . . 61.119999999999997 111.056 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.49 -30.42 62.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 73.200000000000003 109.323 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -68.35 -44.64 74.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 70.400000000000006 109.312 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -64.48 -43.8 93.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 62.32 110.963 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD13 HD12 ' A' ' 10' ' ' LEU . 2.6 mm? -56.35 -47.57 78.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 72.439999999999998 109.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.93 -18.22 70.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.462 1.101 . . . . 64.209999999999994 111.017 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -77.17 -27.05 53.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 0.738 . . . . 75.010000000000005 111.034 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 HD12 HD13 ' A' ' 7' ' ' LEU . 95.5 mt -60.42 -16.27 34.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 75.340000000000003 109.332 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.54 -33.39 76.58 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 44.299999999999997 111.035 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.12 -14.13 39.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 0.716 . . . . 73.450000000000003 109.344 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.85 4.48 25.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 73.310000000000002 109.262 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.72 67.58 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.54 1.15 . . . . 64.209999999999994 110.989 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.7 14.34 25.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 0.796 . . . . 73.409999999999997 109.996 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -28.3 46.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 65.010000000000005 109.322 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.553 0 O-C-N 124.54 1.15 . . . . 63.140000000000001 109.317 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . 0.443 ' C4 ' ' N ' ' A' ' 19' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' N ' ' C4 ' ' A' ' 18' ' ' ACA . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.311 -0.625 . . . . 72.439999999999998 109.311 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.411 ' ND2' ' HG3' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -111.76 144.06 41.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.177 . . . . 71.120000000000005 109.261 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -15.45 34.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 70.409999999999997 110.278 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -55.85 -28.46 56.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 110.298 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.465 ' OE1' HD23 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -68.06 -26.47 65.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 74.349999999999994 110.328 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.62 -52.95 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.510000000000005 109.252 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.1 tp -52.78 -36.1 57.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.416 1.072 . . . . 75.209999999999994 109.287 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.5 mt-10 -77.93 -24.29 48.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 64.209999999999994 110.262 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -59.03 -49.07 79.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 73.230000000000004 109.242 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 32' ' ' SER . 35.2 t0 -79.21 -21.35 46.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 74.25 109.368 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -41.29 77.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 74.510000000000005 109.284 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.1 p-90 -85.83 -50.28 7.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.142 . . . . 73.430000000000007 107.954 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.23 -23.18 46.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 34.409999999999997 109.246 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -54.39 -27.86 39.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 72.430000000000007 110.001 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 30' ' ' TRP . 0.6 OUTLIER -49.93 -34.64 21.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 51.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.458 ' H ' HD23 ' A' ' 33' ' ' LEU . 54.5 m95 -68.19 -56.74 7.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 75.209999999999994 108.021 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 64.209999999999994 109.319 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.997 -0.841 . . . . 71.140000000000001 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 tt -50.56 -36.82 14.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 43.039999999999999 109.306 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.54 -46.02 92.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.156 . . . . 63.240000000000002 110.981 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.53 -34.98 74.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 42.539999999999999 109.281 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.3 -38.36 84.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 54.329999999999998 109.285 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -67.71 -52.02 42.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 74.319999999999993 110.998 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.6 -38.43 87.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 74.340000000000003 109.302 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.84 -14.36 80.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 75.209999999999994 111.03 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -74.21 -38.0 63.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 61.310000000000002 110.999 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' ALA . 20.5 mt -62.93 -34.67 77.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 75.030000000000001 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.49 -27.79 13.01 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.504 1.127 . . . . 52.229999999999997 110.991 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.82 -26.19 25.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 0.796 . . . . 50.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -73.62 -21.32 60.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 71.409999999999997 109.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.84 -7.54 83.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 73.219999999999999 111.022 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 t -91.7 11.22 25.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 0.747 . . . . 71.540000000000006 109.953 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -10.57 59.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 73.329999999999998 109.27 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 tttt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 73.0 109.323 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.273 -0.639 . . . . 72.340000000000003 109.273 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -87.01 150.15 24.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 75.519999999999996 109.287 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -13.87 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 71.299999999999997 110.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -28.43 57.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 75.109999999999999 110.278 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.41 -27.76 67.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 63.210000000000001 110.287 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.76 -31.4 1.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 65.25 109.329 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.07 -47.53 65.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 71.010000000000005 109.338 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -76.97 -24.75 52.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 74.340000000000003 110.299 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.543 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.2 tt -59.57 -49.0 79.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 60.119999999999997 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.25 -17.05 55.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 63.210000000000001 109.313 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -73.62 -41.89 62.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 73.430000000000007 109.331 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.4 p-90 -85.71 -40.96 15.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 72.420000000000002 107.963 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.38 -20.12 65.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 43.299999999999997 109.357 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -27.19 66.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 74.510000000000005 109.946 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.759 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -47.98 -41.08 24.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 74.400000000000006 109.331 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.759 ' H ' HD23 ' A' ' 33' ' ' LEU . 68.0 m95 -53.36 -59.75 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 74.439999999999998 107.993 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.592 1.182 . . . . 74.040000000000006 109.348 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.044 -0.822 . . . . 75.549999999999997 111.044 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -36.0 69.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 0.783 . . . . 74.519999999999996 109.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -54.91 -34.88 57.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 74.219999999999999 111.02 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.43 -27.41 56.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 0.733 . . . . 55.329999999999998 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 5' ' ' LEU . 4.7 tp -72.26 -34.87 68.55 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.428 1.08 . . . . 71.530000000000001 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.643 ' HD2' HD22 ' A' ' 7' ' ' LEU . 1.9 t80 -74.05 -41.39 61.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.219999999999999 110.958 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.643 HD22 ' HD2' ' A' ' 6' ' ' PHE . 3.6 mm? -62.99 -41.94 99.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 73.310000000000002 109.305 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.76 -13.65 69.2 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.148 . . . . 55.130000000000003 110.99 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.84 -34.46 30.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 74.129999999999995 111.006 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.7 mt -56.42 -21.85 27.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 64.430000000000007 109.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.85 -36.8 88.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 24.32 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.67 -14.97 55.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 74.040000000000006 109.317 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.26 19.86 6.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 21.550000000000001 109.347 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.75 -18.32 73.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 72.129999999999995 110.955 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.79 -24.02 19.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 51.439999999999998 110.052 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.8 -53.93 7.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 74.409999999999997 109.325 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 pttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 74.120000000000005 109.286 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.297 -0.631 . . . . 72.310000000000002 109.297 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.413 ' ND2' ' HG2' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -111.7 140.59 46.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 74.010000000000005 109.313 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -15.56 25.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 74.519999999999996 110.334 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' HG2' ' ND2' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -55.8 -28.44 56.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 74.409999999999997 110.316 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLU . 24.7 tt0 -68.04 -26.7 66.01 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.448 1.092 . . . . 74.310000000000002 110.282 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.32 -38.17 3.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 75.340000000000003 109.338 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.12 -44.89 79.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 73.209999999999994 109.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' GLU . 1.1 mt-10 -77.81 -24.38 48.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.594 1.184 . . . . 63.240000000000002 110.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.0 tt -60.09 -44.36 94.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 63.009999999999998 109.282 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.3 -22.28 35.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 74.519999999999996 109.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -41.75 78.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 54.299999999999997 109.362 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.0 p-90 -85.66 -45.81 11.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 1.146 . . . . 61.229999999999997 107.964 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -59.14 -19.03 41.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 31.449999999999999 109.259 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 t -60.68 -23.14 64.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 70.129999999999995 109.924 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.7 OUTLIER -48.11 -39.79 21.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 72.319999999999993 109.306 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.644 ' H ' HD23 ' A' ' 33' ' ' LEU . 57.8 m95 -55.65 -57.26 12.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 73.340000000000003 107.963 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 70.540000000000006 109.329 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.039 -0.824 . . . . 74.209999999999994 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.65 -30.5 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 0.767 . . . . 74.219999999999999 109.338 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.448 ' O ' HD23 ' A' ' 7' ' ' LEU . . . -58.92 -38.85 93.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.447 1.092 . . . . 74.409999999999997 110.949 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.33 -33.39 75.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 62.210000000000001 109.345 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 tp -73.32 -33.72 65.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 51.149999999999999 109.286 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -69.03 -46.3 68.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 71.209999999999994 111.049 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 3' ' ' GLY . 4.2 mm? -57.78 -34.87 70.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 71.439999999999998 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.65 -12.86 81.05 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.549 1.156 . . . . 72.109999999999999 111.04 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -77.4 -31.47 54.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 73.019999999999996 110.971 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 66.5 mt -57.05 -28.75 62.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 73.420000000000002 109.356 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.29 -34.19 83.64 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 60.130000000000003 110.986 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.39 4.81 44.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 71.439999999999998 109.321 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . -65.75 -33.48 75.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 70.349999999999994 109.281 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.52 -17.35 62.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 63.210000000000001 111.032 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 m -97.11 13.73 28.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 0.765 . . . . 52.329999999999998 110.033 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -29.02 5.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.176 . . . . 73.430000000000007 109.286 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 63.299999999999997 109.286 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mttp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.286 -0.635 . . . . 65.230000000000004 109.286 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -86.68 139.45 30.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 62.109999999999999 109.355 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -17.48 26.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 74.200000000000003 110.25 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -28.4 56.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 73.150000000000006 110.239 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLU . 2.6 tm-20 -68.38 -27.04 65.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 72.319999999999993 110.284 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -43.54 -45.44 6.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 62.439999999999998 109.301 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.59 -43.1 56.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 62.219999999999999 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -77.28 -24.17 51.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 71.329999999999998 110.36 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.6 tt -58.09 -44.17 87.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 62.340000000000003 109.307 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -81.68 -24.19 36.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 60.030000000000001 109.27 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -66.55 -42.2 87.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 70.549999999999997 109.246 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.1 p-90 -85.61 -48.44 8.89 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.007 -1.109 . . . . 61.310000000000002 108.007 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.508 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -59.17 -21.21 59.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 63.32 109.336 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -55.37 -25.82 37.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 71.430000000000007 109.995 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.526 HD21 ' CE2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -48.43 -24.72 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 73.340000000000003 109.302 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.526 ' CE2' HD21 ' A' ' 33' ' ' LEU . 56.4 m95 -76.87 -61.25 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 108.023 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 74.219999999999999 109.262 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.937 -0.865 . . . . 54.149999999999999 110.937 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 26.7 mt -47.7 -44.9 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.425 0.721 . . . . 70.219999999999999 109.262 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.64 -36.1 92.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 64.129999999999995 110.966 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.02 -29.22 69.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 75.25 109.261 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -42.67 81.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 70.329999999999998 109.325 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.413 ' HD2' HD22 ' A' ' 7' ' ' LEU . 7.5 t80 -72.72 -35.31 67.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 75.129999999999995 110.997 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.413 HD22 ' HD2' ' A' ' 6' ' ' PHE . 1.9 mm? -63.35 -49.95 71.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 72.140000000000001 109.25 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.7 -10.82 51.7 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.443 1.089 . . . . 72.230000000000004 110.932 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.37 -30.8 48.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 70.329999999999998 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 mt -58.18 -24.62 59.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 61.210000000000001 109.262 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.78 -39.72 47.72 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.479 1.112 . . . . 54.140000000000001 110.99 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.62 -24.36 49.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.6 0.823 . . . . 55.25 109.304 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.14 -9.3 59.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 62.130000000000003 109.314 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -87.07 9.49 72.33 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.514 1.134 . . . . 52.329999999999998 110.987 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 m -85.29 -6.76 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 64.010000000000005 110.018 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -52.64 14.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 74.540000000000006 109.339 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 73.239999999999995 109.325 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.319 -0.622 . . . . 72.5 109.319 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -94.99 148.36 22.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 62.340000000000003 109.314 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -13.86 25.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 45.409999999999997 110.373 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -28.43 57.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 74.409999999999997 110.295 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' GLU . 14.1 tt0 -66.8 -26.32 66.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 73.230000000000004 110.254 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -45.68 -51.29 12.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 74.510000000000005 109.268 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -35.46 49.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 71.329999999999998 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 23' ' ' GLU . 27.7 mt-10 -77.69 -24.24 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 70.450000000000003 110.333 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -59.2 -48.99 79.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 72.5 109.375 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.86 -17.67 52.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 75.530000000000001 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -40.83 64.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 71.230000000000004 109.3 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.557 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.8 p-90 -85.67 -44.79 12.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 73.129999999999995 108.001 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.421 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -54.75 -25.07 25.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.383 1.052 . . . . 72.340000000000003 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 34' ' ' TRP . 3.2 m -55.8 -33.51 64.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 74.010000000000005 109.972 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.746 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -47.39 -25.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 72.519999999999996 109.25 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.746 ' N ' HD23 ' A' ' 33' ' ' LEU . 59.5 m95 -68.78 -64.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.117 . . . . 71.140000000000001 107.99 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 62.109999999999999 109.32 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 N-CA-C 110.99 -0.844 . . . . 45.539999999999999 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -85.05 -25.21 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.602 0.825 . . . . 72.430000000000007 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.04 -32.71 81.29 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.503 1.127 . . . . 51.439999999999998 111.016 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.43 -30.23 69.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 74.030000000000001 109.326 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.11 -35.91 71.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 73.219999999999999 109.279 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -72.9 -43.56 62.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 50.210000000000001 111.027 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.34 -44.2 97.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 60.210000000000001 109.323 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.47 -16.12 64.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 34.149999999999999 111.027 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -38.92 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 72.219999999999999 111.022 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.6 mt -61.14 -29.23 69.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.451 1.094 . . . . 71.340000000000003 109.313 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.09 -32.78 36.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.569 1.168 . . . . 75.230000000000004 110.973 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.35 -21.89 33.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 71.109999999999999 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.93 5.15 26.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 74.340000000000003 109.29 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.3 -21.97 68.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 53.140000000000001 111.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.5 p -103.17 -26.11 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 0.747 . . . . 71.010000000000005 110.032 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -25.33 43.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 65.420000000000002 109.291 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tttt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 75.120000000000005 109.324 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.315 -0.624 . . . . 70.329999999999998 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -79.83 152.18 29.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 73.420000000000002 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -14.06 22.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 74.329999999999998 110.33 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -56.02 -28.51 57.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 72.310000000000002 110.315 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLU . 52.7 tt0 -66.95 -25.99 66.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 43.119999999999997 110.271 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -46.36 -54.76 8.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 73.230000000000004 109.225 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -27.06 65.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 74.239999999999995 109.283 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 1.2 mt-10 -78.2 -24.28 47.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 74.5 110.25 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -58.81 -49.72 76.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 64.219999999999999 109.314 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.13 -17.26 55.39 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 1.121 . . . . 74.5 109.307 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -73.32 -40.98 64.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 72.219999999999999 109.325 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 9.5 p-90 -85.74 -46.31 10.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 71.329999999999998 108.094 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -56.25 -19.37 13.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 65.439999999999998 109.282 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 t -56.23 -31.52 63.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 75.5 110.032 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.536 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -47.82 -30.52 4.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.48 1.113 . . . . 55.549999999999997 109.304 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.536 ' N ' HD23 ' A' ' 33' ' ' LEU . 43.4 m95 -63.01 -54.73 33.61 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.975 -1.12 . . . . 75.510000000000005 107.975 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 73.129999999999995 109.331 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.922 0 N-CA-C 111.034 -0.827 . . . . 51.25 111.034 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tt -58.15 -43.38 85.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.418 0.717 . . . . 72.219999999999999 109.317 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.56 -37.91 90.0 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 72.109999999999999 111.007 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.4 -34.28 76.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 73.310000000000002 109.294 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.25 -35.03 63.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 60.119999999999997 109.308 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -69.66 -41.51 75.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 75.230000000000004 111.002 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.58 -44.03 91.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 71.109999999999999 109.329 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.58 -12.74 64.58 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 60.530000000000001 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -34.22 50.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 0.813 . . . . 55.219999999999999 111.002 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 47.3 mt -61.69 -19.94 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 73.519999999999996 109.345 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.09 86.3 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.126 . . . . 70.319999999999993 110.944 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.48 -10.02 55.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 63.049999999999997 109.298 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . -76.69 -7.66 55.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 73.120000000000005 109.294 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.08 15.79 62.67 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.551 1.157 . . . . 73.340000000000003 111.04 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.3 t -101.05 13.77 34.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.74 . . . . 71.040000000000006 109.989 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.44 -34.91 75.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 74.519999999999996 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.8 mttm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 73.310000000000002 109.271 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.345 -0.613 . . . . 53.039999999999999 109.345 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -107.11 148.58 28.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 74.329999999999998 109.338 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -13.83 31.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 61.210000000000001 110.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.42 -28.42 59.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 63.310000000000002 110.268 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLU . 13.0 tt0 -67.24 -25.18 65.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 72.430000000000007 110.247 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -46.99 -47.47 21.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 63.450000000000003 109.308 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.26 -31.22 72.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 75.019999999999996 109.263 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -78.2 -24.11 47.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 62.340000000000003 110.311 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.2 OUTLIER -56.77 -49.73 74.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 72.310000000000002 109.304 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 32' ' ' SER . 4.8 t0 -78.22 -32.13 49.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.087 . . . . 73.349999999999994 109.342 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -56.69 -44.02 81.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 74.420000000000002 109.312 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 5.7 p-90 -80.52 -49.25 11.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 74.349999999999994 107.988 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.555 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.65 -19.38 10.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 71.239999999999995 109.258 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.2 OUTLIER -56.99 -30.59 64.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.458 1.099 . . . . 61.240000000000002 109.969 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -47.11 -27.26 1.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 63.200000000000003 109.325 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.419 ' N ' HD23 ' A' ' 33' ' ' LEU . 56.6 m95 -69.95 -60.18 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.992 -1.114 . . . . 72.140000000000001 107.992 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 75.140000000000001 109.282 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.007 -0.837 . . . . 74.450000000000003 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mt -72.4 -41.3 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 75.510000000000005 109.287 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.6 -36.09 92.74 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.516 1.135 . . . . 72.409999999999997 110.999 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.64 -35.31 77.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 0.733 . . . . 72.25 109.367 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.69 -32.9 70.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 71.329999999999998 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -71.21 -48.57 50.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.165 . . . . 72.549999999999997 110.983 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -44.28 91.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.186 . . . . 73.340000000000003 109.305 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.61 -13.28 71.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 62.130000000000003 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.72 -28.8 36.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.781 . . . . 65.439999999999998 110.99 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.4 mt -60.75 -27.5 68.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 73.310000000000002 109.345 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.0 -35.77 77.87 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.108 . . . . 63.100000000000001 110.995 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.87 -13.49 56.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 41.200000000000003 109.298 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.98 -8.16 58.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 72.010000000000005 109.325 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.88 -14.22 73.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.542 1.151 . . . . 50.329999999999998 111.004 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -107.38 -10.53 15.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 0.732 . . . . 63.210000000000001 109.962 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.51 -46.7 86.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 74.140000000000001 109.293 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 71.109999999999999 109.258 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.318 -0.623 . . . . 71.099999999999994 109.318 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -104.79 143.66 32.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 63.409999999999997 109.26 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -15.34 19.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 52.130000000000003 110.251 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -28.37 59.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 75.549999999999997 110.272 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' GLU . 21.6 tp10 -67.75 -24.99 65.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.466 1.104 . . . . 74.400000000000006 110.261 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -47.01 -30.75 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 65.549999999999997 109.274 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.61 -42.52 95.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 70.230000000000004 109.309 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -78.17 -24.71 47.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 61.329999999999998 110.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 4.1 tt -59.92 -42.21 93.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 73.099999999999994 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -83.32 -33.17 25.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 75.420000000000002 109.325 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.65 -40.56 83.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 65.310000000000002 109.27 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.9 p-90 -85.95 -51.81 6.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.041 -1.096 . . . . 73.040000000000006 108.041 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.594 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.25 -19.77 9.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 73.140000000000001 109.255 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -54.95 -30.05 57.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 62.219999999999999 110.055 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -46.23 -34.99 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 72.120000000000005 109.328 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.766 ' N ' HD23 ' A' ' 33' ' ' LEU . 61.6 m95 -58.98 -65.76 0.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.951 -1.129 . . . . 74.230000000000004 107.951 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 74.530000000000001 109.265 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.985 -0.846 . . . . 52.439999999999998 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.409 ' H ' HD12 ' A' ' 2' ' ' ILE . 3.5 mp -62.02 -52.55 59.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 54.140000000000001 109.318 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.74 -42.45 91.37 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 50.210000000000001 110.991 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.63 -19.24 63.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 74.120000000000005 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.514 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -68.78 -48.34 63.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 50.340000000000003 109.27 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.37 -45.84 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 63.329999999999998 110.999 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.6 -39.31 93.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 109.264 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.96 -14.38 80.26 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.448 1.092 . . . . 63.109999999999999 111.042 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -74.66 -41.18 60.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.519 0.776 . . . . 75.25 111.024 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -60.86 -26.67 67.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 55.25 109.297 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.34 -28.0 54.21 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.461 1.1 . . . . 53.420000000000002 111.006 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.83 -25.51 37.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.799 . . . . 51.329999999999998 109.287 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.84 -43.58 65.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 74.409999999999997 109.312 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.69 13.84 66.44 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.507 1.129 . . . . 64.519999999999996 110.972 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -76.5 -2.41 32.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 0.79 . . . . 54.25 109.96 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -10.31 57.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 65.019999999999996 109.34 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 73.120000000000005 109.315 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.366 -0.605 . . . . 73.239999999999995 109.366 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -102.53 150.44 23.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 55.219999999999999 109.327 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -13.61 50.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 64.450000000000003 110.263 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -56.14 -29.63 61.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 73.439999999999998 110.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLU . 5.4 tm-20 -65.37 -25.24 67.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 73.219999999999999 110.286 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -48.09 -44.07 31.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 75.209999999999994 109.315 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tp -69.37 -28.16 65.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 53.439999999999998 109.347 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.6 mt-10 -77.61 -24.87 49.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 70.340000000000003 110.28 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 4.0 tt -59.66 -42.46 92.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 52.539999999999999 109.244 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 32' ' ' SER . 47.0 t0 -83.24 -33.32 26.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 74.430000000000007 109.286 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' C ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -58.55 -40.63 83.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 70.540000000000006 109.267 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.598 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.9 p-90 -85.83 -51.9 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 71.319999999999993 108.018 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.598 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.14 -19.8 8.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 62.020000000000003 109.294 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' ASP . 4.8 t -55.28 -32.51 62.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 51.539999999999999 110.071 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -47.86 -34.92 9.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 72.109999999999999 109.269 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.584 ' N ' HD23 ' A' ' 33' ' ' LEU . 49.9 m95 -62.92 -64.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.98 -1.119 . . . . 72.329999999999998 107.98 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 72.329999999999998 109.346 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.024 -0.831 . . . . 61.020000000000003 111.024 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 22.7 mt -59.8 -49.8 82.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 63.409999999999997 109.314 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.35 -33.96 88.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 64.530000000000001 111.028 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.11 -29.26 70.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 50.240000000000002 109.327 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 tp -75.19 -36.22 61.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 63.030000000000001 109.29 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -68.71 -45.83 70.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 73.549999999999997 111.016 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.12 -42.47 96.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 73.319999999999993 109.339 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.58 -16.1 69.32 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 62.109999999999999 110.975 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -35.63 53.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.494 0.761 . . . . 73.109999999999999 111.009 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.17 -17.39 40.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 71.129999999999995 109.247 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.82 -31.26 79.19 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.457 1.098 . . . . 73.209999999999994 110.974 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.56 -4.17 58.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 71.109999999999999 109.356 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.75 -23.8 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 74.420000000000002 109.337 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.54 9.03 71.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 65.019999999999996 110.966 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -119.04 16.48 13.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 0.808 . . . . 42.329999999999998 110.038 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -65.5 -41.79 92.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.150000000000006 109.268 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 mttt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 73.310000000000002 109.361 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 mttp . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.274 -0.639 . . . . 55.420000000000002 109.274 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.03 148.32 24.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 71.120000000000005 109.234 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -13.62 62.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 71.329999999999998 110.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -57.37 -28.39 63.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 74.019999999999996 110.314 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' GLU . 3.5 tt0 -67.41 -22.98 65.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 72.299999999999997 110.327 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -49.73 -25.26 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 73.420000000000002 109.292 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -40.3 62.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 62.240000000000002 109.309 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -78.19 -24.15 47.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 71.5 110.325 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.1 OUTLIER -57.8 -49.73 75.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 63.299999999999997 109.267 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.95 -16.5 56.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 65.200000000000003 109.3 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.77 -41.03 63.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 109.3 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 11.3 p-90 -85.86 -44.93 12.03 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.984 -1.117 . . . . 74.420000000000002 107.984 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -56.06 -21.99 24.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 53.329999999999998 109.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.83 -29.44 59.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 71.25 109.964 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.475 HD21 ' CE2' ' A' ' 34' ' ' TRP . 0.2 OUTLIER -46.29 -28.42 1.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 75.230000000000004 109.252 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.475 ' CE2' HD21 ' A' ' 33' ' ' LEU . 44.2 m95 -70.89 -51.03 28.77 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.541 1.151 . . . . 74.409999999999997 108.023 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.443 ' ND2' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 60.210000000000001 109.294 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.02 -0.832 . . . . 20.219999999999999 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.2 mt -54.75 -28.89 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 64.540000000000006 109.284 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -55.71 -32.7 58.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.143 . . . . 61.100000000000001 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.77 -26.21 57.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 0.75 . . . . 63.240000000000002 109.269 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tp -72.71 -41.87 64.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 72.109999999999999 109.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.575 ' HD2' HD22 ' A' ' 7' ' ' LEU . 3.9 t80 -65.28 -44.17 88.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 64.510000000000005 111.033 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.575 HD22 ' HD2' ' A' ' 6' ' ' PHE . 2.3 mm? -57.67 -44.18 85.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 55.25 109.305 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.35 -11.06 64.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 71.219999999999999 110.999 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -82.04 -17.4 46.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 72.129999999999995 110.977 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.75 -15.89 63.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 53.409999999999997 109.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.26 -29.72 69.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 44.43 110.994 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.57 -22.58 28.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 43.310000000000002 109.27 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.1 -10.14 59.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 71.299999999999997 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -87.14 11.56 64.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.113 . . . . 64.209999999999994 111.045 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.47 15.42 9.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 61.020000000000003 110.023 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -58.67 -18.86 34.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 71.5 109.327 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 65.310000000000002 109.298 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.28 -0.637 . . . . 53.32 109.28 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.69 140.83 46.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 62.119999999999997 109.354 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -15.35 19.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 74.120000000000005 110.261 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -28.42 56.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 71.530000000000001 110.279 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' GLU . 7.4 tm-20 -67.83 -26.43 66.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 73.319999999999993 110.325 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.85 -56.59 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 74.140000000000001 109.283 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -30.46 64.99 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.511 1.132 . . . . 74.25 109.321 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -78.27 -24.15 46.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 74.310000000000002 110.315 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.4 tt -62.24 -40.98 97.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 73.239999999999995 109.317 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -83.32 -33.69 25.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 71.099999999999994 109.272 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' CD ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -58.87 -47.68 84.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 72.219999999999999 109.318 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.59 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 2.1 p-90 -76.73 -50.93 12.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 71.340000000000003 108.029 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.59 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.23 -19.69 8.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 74.129999999999995 109.351 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.9 OUTLIER -52.27 -26.17 11.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 73.230000000000004 109.979 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.914 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -50.52 -36.57 34.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 73.540000000000006 109.354 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.914 ' N ' HD23 ' A' ' 33' ' ' LEU . 77.6 m95 -56.07 -53.11 60.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 72.239999999999995 108.024 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.9 p30 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.165 . . . . 75.400000000000006 109.25 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.035 -0.826 . . . . 73.200000000000003 111.035 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.6 mt -80.7 -57.84 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.779 . . . . 74.140000000000001 109.32 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.41 -42.92 90.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 31.219999999999999 110.977 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.34 -19.3 45.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 0.771 . . . . 70.140000000000001 109.301 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -77.95 -39.24 43.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 73.099999999999994 109.359 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.51 ' HD1' HD22 ' A' ' 7' ' ' LEU . 33.7 t80 -72.59 -38.44 67.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 74.109999999999999 111.028 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD22 ' HD1' ' A' ' 6' ' ' PHE . 3.3 mm? -61.09 -49.58 76.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 72.439999999999998 109.322 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.83 -19.44 63.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.435 1.085 . . . . 75.239999999999995 111.034 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.51 -28.82 52.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 65.239999999999995 110.94 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.446 HD21 ' CE1' ' A' ' 6' ' ' PHE . 42.8 mt -62.47 -28.37 69.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 73.329999999999998 109.335 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.2 -29.52 59.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 72.209999999999994 110.972 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.4 -19.37 31.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 44.310000000000002 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.11 -38.26 27.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 70.439999999999998 109.347 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -92.37 25.6 17.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 73.040000000000006 110.966 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.97 -21.03 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 0.802 . . . . 71.150000000000006 110.021 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -74.67 -51.75 13.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 63.030000000000001 109.334 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 55.439999999999998 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.345 -0.613 . . . . 71.299999999999997 109.345 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -102.13 154.2 19.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 74.299999999999997 109.313 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.5 -13.47 61.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 70.099999999999994 110.294 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HB2' ' ND2' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -57.14 -28.7 62.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 72.239999999999995 110.344 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' GLU . 10.5 tt0 -67.05 -23.01 65.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 74.549999999999997 110.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -50.16 -23.51 2.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 65.340000000000003 109.287 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 mt -74.09 -38.56 63.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 1.152 . . . . 72.340000000000003 109.374 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.6 mt-10 -77.6 -24.18 49.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 73.420000000000002 110.336 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.551 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -59.02 -49.58 77.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 71.099999999999994 109.267 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -16.76 55.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 75.200000000000003 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -40.93 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 75.219999999999999 109.281 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.551 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 8.8 p-90 -85.6 -44.17 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 75.129999999999995 108.035 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.424 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.69 -23.9 54.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 63.310000000000002 109.286 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -54.82 -23.04 16.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 71.109999999999999 110.062 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.625 HD23 ' H ' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -51.24 -32.04 22.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 75.420000000000002 109.264 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.625 ' H ' HD23 ' A' ' 33' ' ' LEU . 66.1 m95 -63.25 -61.42 2.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 73.200000000000003 108.032 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 74.549999999999997 109.259 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.967 -0.853 . . . . 43.200000000000003 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -25.56 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 73.099999999999994 109.35 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.594 ' O ' HD23 ' A' ' 7' ' ' LEU . . . -53.47 -36.94 54.92 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.555 1.159 . . . . 72.109999999999999 110.966 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.91 -32.85 74.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 0.816 . . . . 64.239999999999995 109.291 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.24 -48.16 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 63.32 109.325 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.497 ' CE2' HD21 ' A' ' 10' ' ' LEU . 19.4 t80 -55.17 -36.34 65.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 75.219999999999999 111.009 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 3' ' ' GLY . 3.6 mm? -63.25 -42.22 99.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 72.420000000000002 109.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.57 -14.63 82.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 74.439999999999998 111.002 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.63 -27.78 51.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 0.744 . . . . 71.319999999999993 111.047 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.497 HD21 ' CE2' ' A' ' 6' ' ' PHE . 9.0 mt -64.13 -14.82 57.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 75.519999999999996 109.341 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.41 -32.41 81.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.455 1.097 . . . . 75.200000000000003 111.029 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.5 1.32 49.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 53.439999999999998 109.293 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.18 14.31 22.56 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.524 1.14 . . . . 54.030000000000001 109.255 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.16 -35.43 64.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 72.409999999999997 111.012 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.2 p -84.35 -26.27 28.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 0.743 . . . . 74.239999999999995 110.012 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -60.58 -20.64 61.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 72.439999999999998 109.269 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 mttt . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 70.400000000000006 109.289 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.317 -0.623 . . . . 75.319999999999993 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 22' ' ' GLN . 0.9 OUTLIER -102.68 154.45 19.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 74.140000000000001 109.361 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -13.62 61.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 65.109999999999999 110.293 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HB2' ' ND2' ' A' ' 20' ' ' ASN . 1.7 mt-30 -56.99 -28.82 62.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 72.200000000000003 110.283 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLU . 15.8 tt0 -67.09 -22.91 65.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 73.25 110.334 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -50.16 -28.08 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 60.130000000000003 109.329 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.14 -34.78 63.98 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.1 . . . . 75.140000000000001 109.289 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' GLU . 4.1 mt-10 -78.27 -24.1 46.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 62.240000000000002 110.266 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -50.4 -48.51 55.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.566 1.166 . . . . 73.349999999999994 109.267 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.525 ' HA ' ' HB3' ' A' ' 31' ' ' ALA . 7.0 t0 -79.66 -34.7 40.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 70.030000000000001 109.312 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.37 -38.49 63.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 63.039999999999999 109.313 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.569 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 5.0 p-90 -85.75 -47.68 9.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 73.219999999999999 108.044 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.569 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -55.69 -19.38 10.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 65.109999999999999 109.284 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' ASP . 9.0 p -57.5 -31.29 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 73.340000000000003 110.02 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.5 OUTLIER -47.11 -28.96 1.96 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.445 1.091 . . . . 73.120000000000005 109.273 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.413 ' N ' HD23 ' A' ' 33' ' ' LEU . 46.2 m95 -63.47 -51.39 65.81 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.014 -1.106 . . . . 71.109999999999999 108.014 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 74.209999999999994 109.235 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.022 -0.831 . . . . 72.219999999999999 111.022 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 tt -62.91 -28.05 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.427 0.722 . . . . 64.239999999999995 109.257 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.54 -32.3 74.81 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 64.510000000000005 111.023 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.76 80.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 0.781 . . . . 74.230000000000004 109.28 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -33.62 60.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 62.350000000000001 109.303 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -61.54 -49.86 75.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 74.430000000000007 110.967 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.439 ' HA ' HD13 ' A' ' 7' ' ' LEU . 2.1 mm? -54.17 -44.87 71.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 75.340000000000003 109.243 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.02 -17.77 72.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 63.140000000000001 111.005 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.92 -32.08 57.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 0.775 . . . . 65.230000000000004 111.002 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.4 mt -63.95 -16.71 62.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 73.200000000000003 109.259 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.06 -37.28 94.69 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.525 1.141 . . . . 62.409999999999997 111.052 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.59 -21.07 52.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 0.776 . . . . 51.310000000000002 109.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.97 -9.46 59.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 74.349999999999994 109.32 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.27 -15.83 77.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.425 1.078 . . . . 52.520000000000003 111.047 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.41 -26.54 55.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 74.209999999999994 109.949 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -30.13 64.92 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 71.439999999999998 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 74.25 109.307 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.287 -0.634 . . . . 75.010000000000005 109.287 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -108.59 152.56 24.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 71.019999999999996 109.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -13.74 29.4 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 73.239999999999995 110.263 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -55.86 -28.54 57.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 74.239999999999995 110.333 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 26' ' ' GLU . 50.3 tt0 -66.84 -26.21 66.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 73.040000000000006 110.283 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -46.64 -32.87 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.385 1.053 . . . . 63.219999999999999 109.284 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -42.09 98.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 74.209999999999994 109.245 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 23' ' ' GLU . 9.6 mt-10 -78.18 -23.82 47.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 63.439999999999998 110.336 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.6 tm? -62.46 -48.79 78.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 63.420000000000002 109.266 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.7 OUTLIER -78.1 -18.59 55.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 73.340000000000003 109.359 179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -73.83 -43.49 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 75.510000000000005 109.315 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.547 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 5.7 p-90 -85.78 -55.44 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.025 -1.102 . . . . 73.319999999999993 108.025 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 27' ' ' LEU . . . -53.72 -20.83 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 51.130000000000003 109.269 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -51.6 -35.33 41.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 63.240000000000002 110.004 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.845 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.56 -37.35 7.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 54.200000000000003 109.278 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.845 ' N ' HD23 ' A' ' 33' ' ' LEU . 52.9 m95 -57.96 -62.21 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 75.299999999999997 108.04 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 p30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 73.420000000000002 109.227 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.958 -0.857 . . . . 75.219999999999999 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 mp -82.29 -52.5 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.455 0.738 . . . . 74.040000000000006 109.354 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.77 -35.93 88.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.465 1.103 . . . . 44.399999999999999 111.027 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.62 -20.7 65.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 73.200000000000003 109.286 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -45.37 66.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 72.439999999999998 109.288 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -72.82 -40.98 65.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 65.120000000000005 110.993 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.26 -37.27 83.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 73.230000000000004 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.93 -9.1 75.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.412 1.07 . . . . 51.420000000000002 110.977 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -81.5 -39.25 25.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.797 . . . . 62.43 111.028 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.509 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 9.9 mt -57.28 -29.72 64.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 63.119999999999997 109.291 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.2 -35.05 63.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.155 . . . . 73.239999999999995 110.964 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.16 -14.49 58.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 62.32 109.274 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . -75.84 -51.56 12.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 74.400000000000006 109.289 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.6 26.03 20.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.462 1.101 . . . . 72.019999999999996 110.95 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.17 -12.16 59.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 0.8 . . . . 65.219999999999999 109.981 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.12 -40.21 45.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 54.140000000000001 109.259 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 74.239999999999995 109.297 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.245 -0.65 . . . . 73.439999999999998 109.245 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -65.31 155.26 35.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 51.210000000000001 109.319 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.56 -13.49 61.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 73.329999999999998 110.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.12 -28.8 63.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 64.150000000000006 110.315 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -22.96 65.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 73.540000000000006 110.348 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -50.35 -35.11 26.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 61.329999999999998 109.271 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.6 tp -68.59 -35.23 77.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 74.150000000000006 109.282 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.19 -23.99 47.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 74.230000000000004 110.265 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 1.6 tm? -62.28 -48.87 78.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 63.200000000000003 109.322 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 32' ' ' SER . 4.5 m-20 -78.17 -18.57 55.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 71.219999999999999 109.336 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.86 -43.45 58.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.551 ' CG ' ' N ' ' A' ' 31' ' ' ALA . 5.9 p-90 -85.95 -55.33 4.0 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.012 -1.107 . . . . 75.519999999999996 108.012 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.551 ' N ' ' CG ' ' A' ' 30' ' ' TRP . . . -53.75 -20.8 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 61.409999999999997 109.301 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -51.45 -35.29 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 71.209999999999994 110.036 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.797 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -46.68 -43.16 17.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 74.0 109.291 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.797 ' H ' HD23 ' A' ' 33' ' ' LEU . 64.3 m95 -42.66 -61.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 73.530000000000001 108.006 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 75.299999999999997 109.254 -179.935 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.957 -0.857 . . . . 51.420000000000002 110.957 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 tp -70.87 -26.95 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.427 0.722 . . . . 71.200000000000003 109.311 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.97 -36.92 56.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 32.350000000000001 111.007 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.36 -32.21 66.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 44.210000000000001 109.296 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -48.47 39.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 71.319999999999993 109.31 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' HD1' HD22 ' A' ' 7' ' ' LEU . 30.6 t80 -56.54 -38.05 71.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 71.310000000000002 111.077 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.402 HD22 ' HD1' ' A' ' 6' ' ' PHE . 1.6 mm? -66.69 -38.55 87.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 73.510000000000005 109.278 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.93 -17.87 77.83 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 72.25 111.005 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -78.55 -14.6 59.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 74.540000000000006 111.037 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 80.8 mt -67.15 -22.04 65.79 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 70.310000000000002 109.345 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.02 -41.3 97.89 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 71.230000000000004 110.987 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.05 4.86 36.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 44.530000000000001 109.286 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . -91.85 17.97 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 75.219999999999999 109.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.88 -22.01 75.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 33.130000000000003 110.962 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.7 m -111.34 -10.92 14.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 42.520000000000003 110.023 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -68.79 -42.66 77.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 74.120000000000005 109.278 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 63.140000000000001 109.258 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.268 -0.641 . . . . 75.129999999999995 109.268 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -108.17 146.22 33.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 75.099999999999994 109.273 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -14.62 35.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 72.040000000000006 110.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -56.4 -28.77 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 74.420000000000002 110.264 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 26' ' ' GLU . 3.5 tm-20 -66.98 -27.24 67.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.148 . . . . 74.310000000000002 110.315 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -44.52 -45.07 9.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 62.509999999999998 109.287 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -42.89 97.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 54.229999999999997 109.29 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.474 ' HG2' ' CD ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -67.87 -27.09 66.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 61.229999999999997 110.303 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 2.1 tt -59.84 -43.51 94.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 73.540000000000006 109.324 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' SER . 28.1 t70 -83.4 -33.01 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 55.240000000000002 109.3 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' CD ' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -59.75 -40.16 87.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 60.020000000000003 109.282 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.606 ' CD2' ' N ' ' A' ' 31' ' ' ALA . 1.7 p-90 -85.87 -49.92 7.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 75.420000000000002 108.029 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.606 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -57.71 -19.06 24.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 73.329999999999998 109.339 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -56.08 -26.77 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 52.219999999999999 110.011 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -50.23 -40.32 47.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 72.5 109.283 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.704 ' N ' HD23 ' A' ' 33' ' ' LEU . 79.8 m95 -50.88 -54.68 21.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 108.016 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 72.420000000000002 109.301 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.83 . . . . 72.030000000000001 111.026 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 tt -72.18 -35.13 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.554 0.797 . . . . 60.109999999999999 109.319 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.03 -32.08 74.57 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.518 1.136 . . . . 65.019999999999996 111.04 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.43 -20.23 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 0.802 . . . . 64.140000000000001 109.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tp -78.8 -32.85 46.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 75.530000000000001 109.269 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.774 ' CD1' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -74.94 -35.49 62.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.195 . . . . 74.329999999999998 111.055 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.774 HD22 ' CD1' ' A' ' 6' ' ' PHE . 2.4 mm? -53.3 -52.62 58.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 73.109999999999999 109.338 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.38 -19.34 62.01 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.57 1.169 . . . . 64.420000000000002 110.964 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.21 -24.99 51.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 73.450000000000003 111.013 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD21 ' HE2' ' A' ' 6' ' ' PHE . 92.3 mt -53.74 -25.63 19.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 72.420000000000002 109.336 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.71 -41.61 95.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.44 1.088 . . . . 73.019999999999996 111.031 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.98 -12.78 52.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 65.099999999999994 109.339 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.13 -27.11 62.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 43.439999999999998 109.276 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.55 -3.65 55.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 73.129999999999995 111.004 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.5 m -125.94 32.36 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 74.239999999999995 110.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -67.28 -55.16 15.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 72.25 109.347 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.596 1.185 . . . . 71.109999999999999 109.275 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.357 -0.609 . . . . 52.539999999999999 109.357 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' A' ' 22' ' ' GLN . 0.3 OUTLIER -111.6 145.07 39.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 74.540000000000006 109.276 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -13.97 34.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 72.140000000000001 110.27 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.404 ' HG3' ' ND2' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -56.19 -29.07 60.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 63.409999999999997 110.328 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 26' ' ' GLU . 4.2 tt0 -66.55 -26.45 67.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 72.299999999999997 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -45.73 -46.36 15.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 74.219999999999999 109.346 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.23 -37.92 70.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 74.219999999999999 109.277 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' GLU . 14.6 mt-10 -77.34 -24.24 50.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 72.510000000000005 110.301 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 1.4 tt -61.92 -46.76 87.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 72.140000000000001 109.3 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.83 -18.19 51.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 75.409999999999997 109.295 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -73.43 -44.0 59.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 71.120000000000005 109.268 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.557 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.9 p-90 -84.05 -47.91 10.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.932 -1.136 . . . . 75.230000000000004 107.932 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.514 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -58.53 -21.83 53.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 71.519999999999996 109.312 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -56.16 -22.29 27.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 61.539999999999999 110.007 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.575 HD23 ' H ' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -53.24 -34.8 58.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 73.239999999999995 109.322 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.575 ' H ' HD23 ' A' ' 33' ' ' LEU . 55.9 m95 -65.3 -62.95 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 73.340000000000003 107.999 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 C--N 1.327 -0.408 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.304 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.984 -0.846 . . . . 72.239999999999995 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tt -63.83 -25.87 39.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 61.329999999999998 109.329 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.19 -37.41 91.72 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.518 1.136 . . . . 71.099999999999994 110.967 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.79 -28.23 65.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 73.209999999999994 109.28 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.38 -38.66 71.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 73.129999999999995 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.775 ' CE1' HD21 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -74.94 -41.6 59.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 74.409999999999997 111.028 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -52.38 -52.47 53.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.129999999999995 109.328 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.03 -19.95 66.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.57 1.169 . . . . 75.040000000000006 110.987 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -79.3 -14.49 58.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 0.755 . . . . 71.030000000000001 110.984 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.775 HD21 ' CE1' ' A' ' 6' ' ' PHE . 86.8 mt -67.91 -20.9 65.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 53.329999999999998 109.287 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.48 -38.11 93.08 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.539 1.149 . . . . 70.030000000000001 110.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.1 6.5 36.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.79 . . . . 73.109999999999999 109.182 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . -99.17 23.61 8.92 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.444 1.09 . . . . 63.130000000000003 109.355 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.84 -13.94 81.97 Favored Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.475 1.109 . . . . 73.549999999999997 110.966 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.49 -10.38 54.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 75.409999999999997 109.997 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -80.7 -10.05 59.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.127 . . . . 73.340000000000003 109.29 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 74.310000000000002 109.244 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 mttt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.3 -0.629 . . . . 73.329999999999998 109.3 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -79.18 151.74 31.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 54.5 109.314 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -14.87 19.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 65.010000000000005 110.3 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -55.87 -28.39 56.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.416 1.072 . . . . 63.140000000000001 110.259 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 26' ' ' GLU . 52.1 tt0 -67.78 -26.27 66.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.406 1.066 . . . . 72.450000000000003 110.406 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -45.87 -48.66 15.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 72.340000000000003 109.29 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.7 mt -57.75 -35.56 70.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 63.219999999999999 109.284 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 23' ' ' GLU . 2.2 mt-10 -77.6 -24.74 49.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.422 1.076 . . . . 71.310000000000002 110.286 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.555 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 7.7 tt -60.72 -46.15 91.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 61.5 109.316 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -80.53 -20.03 44.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 74.010000000000005 109.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -70.98 -43.95 66.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 50.409999999999997 109.288 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.555 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 7.1 p-90 -83.55 -46.45 12.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 75.200000000000003 107.999 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.492 ' N ' ' CD2' ' A' ' 30' ' ' TRP . . . -58.19 -19.78 36.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 61.039999999999999 109.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.06 -27.14 42.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 71.349999999999994 110.012 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.738 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -52.67 -34.51 52.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 71.209999999999994 109.314 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.738 ' N ' HD23 ' A' ' 33' ' ' LEU . 80.5 m95 -58.14 -53.4 58.73 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.985 -1.117 . . . . 70.400000000000006 107.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 75.239999999999995 109.297 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.999 -0.84 . . . . 71.230000000000004 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.0 tp -71.92 -45.59 63.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.767 . . . . 61.119999999999997 109.347 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.28 -37.62 55.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.578 1.173 . . . . 74.420000000000002 110.974 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.35 -24.03 59.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 62.340000000000003 109.251 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.83 -45.57 70.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 73.409999999999997 109.299 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.519 ' CE2' HD21 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -74.87 -41.68 59.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.581 1.176 . . . . 75.5 110.981 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -52.37 -49.7 63.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 109.354 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.11 -17.6 59.21 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 63.229999999999997 110.946 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.63 -21.44 38.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.779 . . . . 73.329999999999998 110.99 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD21 ' CE2' ' A' ' 6' ' ' PHE . 86.7 mt -68.0 -22.31 65.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 50.450000000000003 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.19 -39.79 92.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.423 1.077 . . . . 71.409999999999997 110.99 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.35 -25.83 51.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 0.78 . . . . 65.019999999999996 109.277 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.92 -19.58 65.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 64.329999999999998 109.282 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.09 29.99 4.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.519 1.137 . . . . 52.539999999999999 111.018 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.2 t -118.14 0.46 11.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 0.795 . . . . 63.399999999999999 110.018 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -64.06 -56.27 16.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 75.120000000000005 109.234 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 74.510000000000005 109.343 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ACA . . . . . 0.44 ' H51' ' CD ' ' A' ' 19' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.44 ' CD ' ' H51' ' A' ' 18' ' ' ACA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.353 -0.61 . . . . 73.409999999999997 109.353 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -69.22 150.54 47.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 71.439999999999998 109.279 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -14.62 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.081 . . . . 71.409999999999997 110.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -55.82 -28.5 56.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 74.420000000000002 110.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 25' ' ' LEU . 2.1 tm-20 -67.09 -27.07 67.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 60.43 110.286 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -45.28 -27.44 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 73.219999999999999 109.293 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' N ' ' C ' ' A' ' 23' ' ' GLU . 1.2 tm? -63.38 -49.3 74.36 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 63.329999999999998 109.273 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -24.94 52.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.542 1.151 . . . . 63.520000000000003 110.263 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 30' ' ' TRP . 6.4 tt -60.39 -46.93 88.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 52.210000000000001 109.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -80.2 -20.32 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 71.239999999999995 109.317 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -42.76 70.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 65.420000000000002 109.373 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 6.9 p-90 -84.99 -45.37 12.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 62.530000000000001 108.026 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 27' ' ' LEU . . . -59.48 -20.86 58.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 71.310000000000002 109.269 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.94 -26.68 60.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 62.210000000000001 109.95 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.583 HD23 ' N ' ' A' ' 34' ' ' TRP . 0.4 OUTLIER -52.29 -33.31 41.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 72.120000000000005 109.355 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.583 ' N ' HD23 ' A' ' 33' ' ' LEU . 62.2 m95 -61.01 -62.79 1.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.978 -1.119 . . . . 75.439999999999998 107.978 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.2 p30 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 72.040000000000006 109.285 -179.964 . . . . . . . . 0 0 . 1 stop_ save_